TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.1621   -7.4180    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    3.3874   -4.6783    0.0000 C   0  0
    1.0157   -3.6164    0.0000 S   0  0
    1.6281   -2.2462    0.0000 S   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12992

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
PX-12

> <ctcr_id>
8307

> <supplier_cmpd_id>
T2283

> <smiles>
CCC(C)SSc1[nH]ccn1

> <pd_targets>
{TXNRD1,REP,TXN}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Transferase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","Leishmania infection","Transcriptional Regulati
on by TP53","SARS-CoV-2 Infection","Cell recruitment (pro-inflammatory response)","TP53 Regulates Metabolic Genes","SARS-CoV-2 Genome Replication and Transcription","Purinergic signaling in leishmania
sis infection","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{CNR1,TXN}

> <broad_moa>
{"thioredoxin inhibitor"}

> <synonyms>
{X1,PX-12,PX12,141400-58-0,141400580,2-(sec-butyldisulfanyl)-1h-imidazole,2(secbutyldisulfanyl)1himidazole,"PX 12",2-(butan-2-yldisulfanyl)-1H-imidazole,2(butan2yldisulfanyl)1Himidazole,IV-2,IV2,2-((1
-methylpropyl)dithio)-1H-imidazole,2((1methylpropyl)dithio)1Himidazole,"1-Methylpropyl-2-imidazolyl disulfide","1Methylpropyl2imidazolyl disulfide",2-((1-Methylpropyl)dithio)-1H-imidazole,2((1Methylpr
opyl)dithio)1Himidazole,CHEMBL406050,1H-Imidaz,1HImidaz,T2283,2954,M5324}

> <pdid>
PD003683

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{219104}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 C   0  0
  -11.6978    5.2390    0.0000 C   0  0
  -12.9970    4.4896    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
  8 25  1  0
 25 26  2  0
 26  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12993

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
Tenovin-1

> <ctcr_id>
6293

> <supplier_cmpd_id>
T1919

> <smiles>
CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1

> <pd_targets>
{RORC}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor","TP53 activator"}

> <synonyms>
{ENOVIN,Tenovin-1,Tenovin1,380315-80-0,380315800,"Tenovin 1",N-((4-acetamidophenyl)carbamothioyl)-4-tert-butylbenzamide,N((4acetamidophenyl)carbamothioyl)4tertbutylbenzamide,UNII-BIQ6AID2B7,UNIIBIQ6AI
D2B7,BIQ6AID2B7,N-(4-acetamidophenylcarbamothioyl)-4-tert-butylbenzamide,N(4acetamidophenylcarbamothioyl)4tertbutylbenzamide,NCGC00181351-01,NCGC0018135101,C20H23N3O2S,N-((4-acetamidoanilino)-sulfanyl
idenemet,N((4acetamidoanilino)sulfanylidenemet,T1919,S8000}

> <pdid>
PD010272

> <targets>
{"E3 Ligase",p53}

> <classes>
{Apoptosis}

> <pubchem_cids>
{1013376}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    5.1965   -1.5089    0.0000 O   0  0
    5.1943   -3.0089    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 N   0  0
    2.5930   -4.5047    0.0000 C   0  0
    6.4932   -3.7607    0.0000 C   0  0
    7.7947   -3.0149    0.0000 C   0  0
    9.0914   -3.7690    0.0000 C   0  0
    9.0867   -5.2689    0.0000 C   0  0
    7.7853   -6.0149    0.0000 C   0  0
    6.4886   -5.2608    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  3 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  3 20  1  0
  2 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12994

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
JAK2 Inhibitor V

> <ctcr_id>
11515

> <supplier_cmpd_id>
T3042

> <smiles>
O=C(C(CCc1ccccn1)(CCc1ccccn1)C)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{195371-52-9,195371529,"NSC 42834","JAK2 Inhibitor V, Z3","JAK2 Inhibitor V Z3",NSC42834,NSC-42834,2-methyl-1-phenyl-4-(pyridin-2-yl)-2-(2-(pyridin-2-yl)ethyl)butan-1-one,2methyl1phenyl4(pyridin2yl)2(
2(pyridin2yl)ethyl)butan1one,"JAK2 Inhibitor V;Z3",MLS002608474,2-methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyri,2methyl1phenyl4pyridin2yl2(2pyri,T3042,"JAK2 Inhibitor V"}

> <pdid>
PD017736

> <targets>
{JAK2,"JAK2 (V617F)"}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{238484}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12995

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
Carvedilol

> <ctcr_id>
1656

> <supplier_cmpd_id>
T0447

> <smiles>
COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,ADRB1,KDM4E,MAPT,GAA,HTR1B,KCNH2,ADRA1A,ADRA1B,HTR1A,MAPK1,HTR4,ADRB2,ADRA1D,KMT2A,APP,RORC,RYR2,FFP,MTOR,HTR2B,SLC6A4,ADRB3,DRD3,ABCB1,SLC22A2,SLC22A1,SLC6A2,DRD2,HTR2C,SLC6A3,S
LC47A1,TLR4,KCNK2,KCNK10,UGT1A1,HTR2A,HTR6,CACNA1C,NDUFC2,VEGFA,NPPB,GJA1,VCAM1,SELE,HIF1A,KCNJ4,KCNJ2,HCRTR2,HCRTR1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Other cytosolic protein",Enzyme,"Ion channel","Transcription factor",Transporter,"Secreted protein",Adhesion,"Family A G protein-coupled receptor",Eraser,H
ydrolase,"Voltage-gated ion channel",Kinase,Reader,"Nuclear receptor","Ligand-gated ion channel",Transferase,"Electrochemical transporter","Primary active transporter","Small molecule receptor (family
 A GPCR)","Lysine demethylase","Potassium channels","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Ryanodine receptor","SLC superfamily of solute carriers","ATP-binding cassette"
,"Voltage-gated calcium channel","Peptide receptor (family A GPCR)","Monoamine receptor","Jumonji domain-containing","Voltage-gated potassium channel","CMGC protein kinase group","Nuclear hormone rece
ptor subfamily 1 group F","Atypical protein kinase group","SLC06 neurotransmitter transporter family","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidru
g and toxin extrusion transporters","Two-pore domain potassium channel","Inwardly rectifying potassium channel","Short peptide receptor (family A GPCR)","Adrenergic receptor","Serotonin receptor","CMG
C protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Dopamine receptor","Orexin receptor","CMGC protein kinase ERK1","Atypical p
rotein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone r
eceptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Catalytic receptors","UDP glucuronosyltransferases (UGT)","Other ion channels",Adrenoceptors,"1.14.11.- Histon
e demethylases","5-Hydroxytryptamine receptors","Potassium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","R
yanodine receptors",Atypical,"SLC6 neurotransmitter transporter family","Dopamine receptors","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and tox
in extrusion transporters","Pattern recognition receptors","Voltage-gated calcium channels","Connexins and Pannexins","Orexin receptors","Voltage-gated potassium channels","Mitogen-activated protein k
inases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","Organic cation transporters (OCT)","Toll-like receptor family","Two P domain po
tassium channels","Inwardly rectifying potassium channels","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction","Muscle contraction","Immune System","Gene expression (Transcription)",Metabolism,"Transport of small molecules","Developmental Biology","Vesicle-media
ted transport",Hemostasis,"Cellular responses to external stimuli","Infectious disease","Transmission across Chemical Synapses","Diseases of metabolism","Signaling by GPCR","Cardiac conduction","Innat
e Immune System","RNA Polymerase II Transcription","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Potassium Channels","Nervous sy
stem development","The citric acid (TCA) cycle and respiratory electron transport","Membrane Trafficking","Cytokine Signaling in Immune system","Cell surface interactions at the vascular wall","Cellul
ar responses to stress","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Diseases of carbohydrate metabolism","GPCR ligand binding","Phase 3 - rapid repolarisa
tion","Toll-like Receptor Cascades","Generic Transcription Pathway","Ion homeostasis","Neurotransmitter clearance","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal
 ions and amine compounds","SLC transporter disorders","Tandem pore domain potassium channels","Metabolic disorders of biological oxidation enzymes","Axon guidance","Respiratory electron transport","A
TP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Gap junction trafficking and regulation","Interferon Signaling","Cellular response to hypoxia","Leishmania parasit
e growth and survival","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional 
regulation by RUNX1","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Serotonin clearance from the synaptic cleft","Organic cation/anion/zwitterion transport","Defective SLC
6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Toll Like Receptor 4 (TLR4) Cascade","TWIK related potassium channel (TREK)","Defective UGT1
A1 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Gap junction trafficking","Interferon gamma sign
aling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","GABA receptor activation","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor ac
tivation events","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","RUNX1 regulates genes involved in megakaryocyte differentiation
 and platelet function","RUNX3 Regulates Immune Response and Cell Migration","Regulation of TP53 Activity","Organic cation transport","MyD88-independent TLR4 cascade","NCAM1 interactions","Complex I b
iogenesis","TFAP2 (AP-2) family regulates transcription of growth factors and their receptors","Gap junction assembly","GABA B receptor activation","Peptide ligand-binding receptors","ADORA2B mediated
 anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Serotonin receptors",Adrenoceptors,"MAP kinase activation","TAK1 activates NFkB by phosphorylation and activation of
 IKKs complex","Regulation of TP53 Expression and Degradation","Dopamine receptors","TRIF(TICAM1)-mediated TLR4 signaling","Transport of connexons to the plasma membrane","Activation of GABAB receptor
s","Orexin and neuropeptides FF and QRFP bind to their respective receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Activation of IRF3/IRF7 mediated b
y TBK1/IKK epsilon","Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","ERK/MAPK targets","ERKs ar
e inactivated"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{carvedilol,72956-09-3,72956093,Coreg,Dilatrend,Eucardic,"Carvedilolum (Latin)","BM 14190",Carvedilolum,1-(9H-Carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-2-propanol,1(9HCarbazol4yloxy)3((2(
2methoxyphenoxy)ethyl)amino)2propanol,BM-14190,BM14190,"SKF 105517",1-((9H-Carbazol-4-yl)oxy)-3-((2-(2-methoxyphenoxy)ethy,1((9HCarbazol4yl)oxy)3((2(2methoxyphenoxy)ethy,T0342,T0447,S1831,SAM001246736
,1504257,Prestw-1262,"Carvedilol phosphate",Carvedilol,CPD000449280,CARVEDILOL}

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

> <classes>
{beta-adrenergic blocker,Neuronal Signaling,Autophagy,GPCR/G Protein}

> <pubchem_cids>
{2585}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 27  0  0  0  0            999 V2000
   24.1049   -1.8584    0.0000 H   0  3
   21.6049   -1.8584    0.0000 H   0  3
   19.1049   -1.8584    0.0000 O   0  0
   16.6049   -1.8584    0.0000 O   0  0
   14.1049   -1.8584    0.0000 Cl  0  5
   11.6049   -1.8584    0.0000 Cl  0  5
    9.1049   -5.2344    0.0000 C   0  0
    9.1018   -3.7344    0.0000 C   0  0
    7.8010   -2.9858    0.0000 N   0  0
    6.5010   -3.7358    0.0000 C   0  0
    5.2018   -2.9862    0.0000 C   0  0
    7.7980   -1.4850    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 Cl  0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5181    0.0000 O   0  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 29  1  0
 29 30  2  0
 30 13  1  0
 30 31  1  0
M  CHG  4   1   1   2   1   5  -1   6  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12996

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Amodiaquine hydrochloride

> <ctcr_id>
364

> <supplier_cmpd_id>
T0381

> <smiles>
[H+].[H+].O.O.[Cl-].[Cl-].CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O

> <pd_targets>
{HIF1A,LEF,CYP2D6,CYP2J2,CYP2C9,CYP3A4,CYP2C8,CYP2C19,CYP1A2,KCNH2,REP,ABCB11,HNMT,HPSE,GAA,APP}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel",Transporter,"Membrane receptor",Protease,"Cytochrome P450","Voltage-gated ion channel",Transferase,"Primary active transporter",Hydrolase,"Metallo protease
","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Potassium channels","ATP-binding cassette","Metallo protease MAE clan","Cytochrome P450 family 2D","Cytochrome P450 
family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Voltage-gated potassium channel","ABCB subfamily","Metallo protease M34 family","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochr
ome P450 3A4","Cytochrome P450 2C8","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Ion channels","Other protein targets",Transporters,"Cytochrome P450","Voltage-gated ion channels","Anti-infective targets","ATP-binding cassette transporter family","3.2.1.- Glycosidases","C
YP2 family: drug metabolising subset","CYP3 family","CYP1 family","Potassium channels","Viral protein targets","ABCB subfamily","Voltage-gated potassium channels","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Disease,Metabolism,"Muscle contraction","Immune System","Cellular responses to stress","Infectious disease","Biological oxidations","Metabolism of lipids","Ca
rdiac conduction","Metabolism of amino acids and derivatives","Metabolism of carbohydrates","Diseases of metabolism","Innate Immune System","Cellular response to hypoxia","Uptake and actions of bacter
ial toxins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 3 - rapid repolarisation","SARS-CoV Infections","Metabolism of steroids","Sele
noamino acid metabolism","Glycosaminoglycan metabolism","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","
Uptake and function of anthrax toxins","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","SARS-CoV-1 Infection","SARS-CoV-2 Infection","Bile acid and bile salt metaboli
sm","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Heparan sulfate/heparin (HS-GAG) metabolism","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Cascade",Xenobiotics,"Fatty acids","Bios
ynthesis of maresins","SARS-CoV-1 Genome Replication and Transcription","SARS-CoV-2 Genome Replication and Transcription","Synthesis of bile acids and bile salts","HS-GAG degradation","Glycogen storag
e disease type II (GAA)","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Replica
tion of the SARS-CoV-1 genome","Replication of the SARS-CoV-2 genome","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","TAK1 activates NFkB by phosphorylation and activation of I
KKs complex"}

> <broad_targets>
{HNMT}

> <broad_moa>
{"histamine receptor agonist"}

> <synonyms>
{RESTW30,CHEBI:50652,AKOS026749883,"Amodiaquinium dihydrochloride dihydrate","Amodiaquin dihydrochloride dihydrate",6398-98-7,6398987,"Amodiaquine dihydrochloride dihydrate","Amodiaquine HCl",UNII-K6P
W2S574L,UNIIK6PW2S574L,"Amodiaquin HCl hydrate",K6PW2S574L,"Amodiaquine hydr",T0381,Prestw-309,"Amodiaquine hydrochloride"}

> <pdid>
PD009890

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24906321,517313,64646}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -3.8972    5.2500    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 18 21  1  0
 21  4  2  0
 21 22  1  0
 22  8  1  0
 22 14  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12997

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
Ellagic acid

> <ctcr_id>
1995

> <supplier_cmpd_id>
T0465

> <smiles>
Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34

> <pd_targets>
{SYK,SQLE,CA7,CA14,LYN,POLH,ATG4B,HSPA1A,TEK,HSD17B10,APP,KDM4E,THRB,HPGD,IMPA1,BLM,GSTP1,CSNK2A1,CSNK2A2,CSNK2B,TDP1,MAPT,MAPK1,ALD,PRKACA,PRKACB,PRKACG,GSK3B,CA12,RECQL,EPHX2,FGR,CA2,CA3,CA4,CA6,CA9
,SRC,POLI,MAP3K8,ELAVL3,DUSP6,FFP,ATM,GSR,MAOA,GAPDH,APEX1,TPT1,CYP2C19,GAA,CYP2C9,GST,HBB,RORC,SMAD3,AMPC,POLB,AKR1B1,CA13,CA5B,DUSP3,HSPA8,CA1,AOX1,MIF,USP2,KMT2A,ALDOA,TP53,POL,LMNA,BACE1,MEN1,LEF,
TXNRD1,TXNRD2,TXNRD3,ALOX15,CARM1,CA5A,EIF4G1,MCL1,EPHB4,IGF1R,GALNT2,AKT1,NUAK1,BRAF,GPR35,SLC22A6,AURKB,CCND1,CDK4,EGFR,FLT4,CCNA1,CCNA2,CDK2,ERBB2,PLK1,AURKA,KDR,MET,PDGFRB,TSNAX,PTK2,INSR,PLK4,PRK
CA,PRKCB}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein","Secreted protein","Other nuclear protein",Transporter,Kinase,Oxidoreductase,
Lyase,Protease,Transferase,Eraser,"Nuclear receptor",Hydrolase,Phosphatase,"Cytochrome P450",Isomerase,Reader,Writer,"Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase
","Cysteine protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Serine protease","Protein Phosphatase","Cytochrome P450 family 2",Bromodomain,"Aspartic protease","Metallo protease",
"Protein methyltransferase","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","TK protein kinase group","Cysteine protease CA clan","Jumonji domain-containing","Nuclear ho
rmone receptor subfamily 1 group A","Other protein kinase group","CMGC protein kinase group","AGC protein kinase group","Serine protease SC clan","STE protein kinase group","Serine/threonine/tyrosine 
protein phosphatase","Atypical protein kinase group","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Aspartic protease AA clan","Metallo protease MAE clan","Protein arginin
e methyltransferase","CAMK protein kinase group","TKL protein kinase group","Carboxylic acid receptor","SLC22 family of organic cation and anion transporters","Tyrosine protein kinase Syk family","Cys
teine protease C1A family","Tyrosine protein kinase Src family","Tyrosine protein kinase Tie family","Nuclear hormone receptor subfamily 1 group A member 2","Other protein kinase CK2 family","CMGC pro
tein kinase MAPK family","AGC protein kinase PKA family","CMGC protein kinase GSK family","Serine protease S33 family","STE protein kinase STE11 family","Atypical protein kinase PIKK family","Cytochro
me P450 2C19","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C19 family","Aspartic protease A1A subfamily","Metallo protease M34 family","Tyrosine pro
tein kinase Eph family","Tyrosine protein kinase InsR family","AGC protein kinase AKT family","CAMK protein kinase CAMK1 family","TKL protein kinase RAF family","Kynurenic acid receptor","Other protei
n kinase AUR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other protein kinase PLK family","Tyrosine protein kinase Met family
","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Fak family","AGC protein kinase PKC family","CMGC protein kinase ERK1","CAMK protein kinase NuaK subfamily","CMGC protein kinase CDC2 
subfamily","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Catalytic receptors","Lanosterol biosynthesis pathway","Carbonic anhydrases","Peptidases and proteinases","Heat shock proteins","Chromatin modi
fying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Inositol phosphate turnover","Kinases (EC 2.7.x.x)",Hydrolases,"1.-.-.- Oxidoreductases","Catecholamine turnover","Cytochrome P450","3
.2.1.- Glycosidases","L-Arginine turnover","B-cell lymphoma 2 (Bcl-2) protein family","G protein-coupled receptors","SLC superfamily of solute carriers","Receptor kinases","CA: Cysteine (C) Peptidases
","1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","Prostaglandin synthases","Inositol monophosphatase","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 
7","Sterile 11","Sterile 20 kinases",Atypical,"CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","AA: Aspartic (A) Peptidases",Lip
oxygenases,"2.1.1.- Protein arginine N-methyltransferases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Orphan and other 7TM receptors","SLC22 family 
of organic cation and anion transporters","TK: Tyrosine kinase","C54: Aut2 peptidase","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","Other protein kinases",
"STE-unique family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","C19: Ubiquitin-specific protease","A1: Pepsin","Protein kinase A (PKA) family","Akt (Protein kinase B","PKB) family
","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Class A Orphans","Organic anion transporters (OATs)","Protein kinase C (PKC) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosin
e kinases (RTKs)","ERK subfamily","GSK subfamily","Casein kinase 2 (CK2) family","Other PIKK family kinases","NuaK subfamily","RAF family","Aurora kinase (Aur) family","Polo-like kinase (PLK) family",
"Delta subfamily","Alpha subfamily","Syk family","Src family","Type XII RTKs: TIE family of angiopoietin receptors","Type XIII RTKs: Ephrin receptor family","Type II RTKs: Insulin receptor family","Ty
pe I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type
 III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Fak family"}

> <pathway_reactome>
{Disease,Metabolism,"DNA Repair",Autophagy,"Cellular responses to external stimuli","Signal Transduction","Immune System","Metabolism of proteins","Neuronal System","Gene expression (Transcription)","
Transport of small molecules","Cell Cycle",Hemostasis,"Developmental Biology","Vesicle-mediated transport","Infectious disease","Metabolism of lipids","Reversible hydration of carbon dioxide","DNA Dou
ble-Strand Break Repair",Macroautophagy,"Cellular responses to stress","MAPK family signaling cascades","Metabolism of amino acids and derivatives","Innate Immune System","Post-translational protein m
odification","Inositol phosphate metabolism","Biological oxidations","Transmission across Chemical Synapses","RNA Polymerase II Transcription","O2/CO2 exchange in erythrocytes","Signaling by Receptor 
Tyrosine Kinases","DNA Damage Bypass","Cytokine Signaling in Immune system","Cell Cycle Checkpoints","Metabolism of carbohydrates","Base Excision Repair","Diseases of metabolism","Diseases of signal t
ransduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","Platelet activation","signaling and aggregation",Mitotic,"Amyloid fiber formation",Translation,"Ne
rvous system development","Membrane Trafficking","Signaling by GPCR","SLC-mediated transmembrane transport","Intracellular signaling by second messengers","Gene Silencing by RNA","Leishmania infection
","Metabolism of steroids","Homology Directed Repair","Cellular response to heat stress","MAPK1/MAPK3 signaling","Branched-chain amino acid catabolism","Toll-like Receptor Cascades",SUMOylation,"Biosy
nthesis of specialized proresolving mediators (SPMs)","Synthesis of IP2",IP,"and Ins in the cytosol","Phase II - Conjugation of compounds","Nonhomologous End-Joining (NHEJ)","Neurotransmitter receptor
s and postsynaptic signal transmission","SARS-CoV Infections","Generic Transcription Pathway","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Signaling by NTRK
s","Translesion synthesis by Y family DNA polymerases bypasses lesions on DNA template","Signaling by Interleukins","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","Glucose me
tabolism","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","Neutrophil degranulation","Signaling by TGF-beta Receptor Complex in Cancer","Metabolism of water-soluble vitam
ins and cofactors","Response to elevated platelet cytosolic Ca2+","M Phase","Uptake and actions of bacterial toxins","Eukaryotic Translation Initiation","Mitotic G2-G2/M phases","Axon guidance","Signa
ling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amine c
ompounds","GPCR downstream signalling","Signaling by VEGF","PIP3 activates AKT signaling","Small interfering RNA (siRNA) biogenesis","Leishmania parasite growth and survival","Regulation of cholestero
l biosynthesis by SREBP (SREBF)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HSF1-dependent transactivation","RAF/MAP kinase cascade","Toll Like Receptor 5 (TLR5) Ca
scade","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","Glutathione conjugation","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Transcrip
tional Regulation by TP53","Regulation of gene expression by Hypoxia-inducible Factor","Signaling by NTRK1 (TRKA)","Termination of translesion DNA synthesis","Interleukin-1 family signaling","p53-Depe
ndent G1/S DNA damage checkpoint","Amine Oxidase reactions",Gluconeogenesis,"Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Cytochrome P450 - arranged by substrate type
","Glycogen storage diseases","Transcriptional regulation by RUNX3","Loss of Function of SMAD2/3 in Cancer","Metabolism of steroid hormones","Interleukin-12 family signaling","Vitamins B6 activation t
o pyridoxal phosphate","Transcriptional regulation by RUNX1","Platelet degranulation","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Biosynthesis of DPA-derived SPMs","Cap-d
ependent Translation Initiation","G2/M Transition","Interleukin-4 and Interleukin-13 signaling","EPH-Ephrin signaling","IGF1R signaling cascade","Golgi-to-ER retrograde transport","Class A/1 (Rhodopsi
n-like receptors)","Organic cation/anion/zwitterion transport","G alpha (q) signalling events","VEGF ligand-receptor interactions","Semaphorin interactions","VEGFA-VEGFR2 Pathway","Negative regulation
 of the PI3K/AKT network","Parasite infection","G alpha (i) signalling events","Mitotic Prophase","Anti-inflammatory response favouring Leishmania parasite infection","Activation of gene expression by
 SREBF (SREBP)","HDR through Homologous Recombination (HRR)","Attenuation phase","MyD88 cascade initiated on plasma membrane","SUMOylation of intracellular receptors","Biosynthesis of D-series resolvi
ns","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","Biosynthesis of maresins","Regulation of TP53 Activity","Signalling to ERKs","Interleukin-1 signaling","p5
3-Dependent G1 DNA Damage Response","TP53 Regulates Metabolic Genes","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","PCNA-Dependent Long Patch Base Excision Repair",Xenobio
tics,"Glycogen storage disease type II (GAA)","RUNX3 Regulates Immune Response and Cell Migration","SMAD2/3 MH2 Domain Mutants in Cancer","Pregnenolone biosynthesis","Interleukin-12 signaling","RUNX1 
regulates genes involved in megakaryocyte differentiation and platelet function","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Cycle Genes","Activation of the 
mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Centrosome maturation","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","COPI-independe
nt Golgi-to-ER retrograde traffic","Organic anion transport","Gastrin-CREB signalling pathway via PKC and MAPK","VEGF binds to VEGFR leading to receptor dimerization","Sema4D in semaphorin signaling",
"VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Visual phototransduction","Nuclear Envelope Breakdown","FCGR3A-mediated IL10 synthesis"
,"TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","MAP kinase activation","Replication of 
the SARS-CoV-1 genome","Regulation of TP53 Activity through Phosphorylation","Signalling to RAS","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Stabilization of p53","CYP2E1 reactions","Gene and protei
n expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Expression and Degradation","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and r
esolvins","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest","Translation initiation complex formation","Loss of proteins required for interphase microtubule organization from th
e centrosome","Prolonged ERK activation events","Separation of Sister Chromatids","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Sema4D mediated inhibition
 of cell attachment and migration","FCGR3A-mediated phagocytosis","The phototransduction cascade","Depolymerisation of the Nuclear Lamina","Presynaptic phase of homologous DNA pairing and strand excha
nge","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Ref
ormation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation",Inactivation,"recovery and regulation of the phototransduction cascade","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA3,CA4,CA5A,CA5B,CA6,CA7,CA9,CSNK2A1,GSK3B,PRKACA,PRKCA,PRKCB,SQLE,SYK}

> <broad_moa>
{"glutathione transferase inhibitor","non-nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{"ellagic acid",476-66-4,476664,"Benzoaric acid",Elagostasine,Lagistase,"2,3,7,8-Tetrahydroxychromeno(5,4,3-cde)chromene-5,10-dione","2,3,7,8Tetrahydroxychromeno(5,4,3cde)chromene5,10dione","Eleagic a
cid","Alizarine Yellow",Gallogen,"Llagic acid","Acide ellagique","Acido elagico","Acidum ellagicum","C.I. 5500",T0465,NSC407286,1502245,"NSC 407286","Ellagic acid","ELLAGIC ACID"}

> <pdid>
PD001339

> <targets>
{Casein Kinase,Endogenous Metabolite,Reactive Oxygen Species}

> <classes>
{antineoplastic,hemostatic,antimutagenic,Cell Cycle/DNA Damage,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB,Stem Cell/Wnt}

> <pubchem_cids>
{5281855}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 17  0  0  0  0            999 V2000
    8.9894   -3.3822    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  3
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  CHG  2   1  -1  16   1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12998

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
Procainamide hydrochloride

> <ctcr_id>
787

> <supplier_cmpd_id>
T0018

> <smiles>
[Cl-].CCN(CC)CCNC(=O)c1ccc([NH3+])cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"procainamide hydrochloride","Procainamide Hcl",614-39-1,614391,"614 39 1",Pronestyl,Procanbid,Procapan,Procan,"Procainamide (hydrochloride)","4-amino-N-(2-(diethylamino)ethyl)benzamide hydrochloride
","4aminoN(2(diethylamino)ethyl)benzamide hydrochloride","4aminoN(2(diethylamino)ethyl)benzamide hydr",SAM002554928,1500503,Prestw-337,CPD000059079,"PROCAINAMIDE HYDROCHLORIDE","Procainamide hydrochlo
ride"}

> <pdid>

> <targets>
{}

> <classes>
{antiarrhythmic}

> <pubchem_cids>
{43833392,66068,44272299,657275}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
    8.9894   -3.3824    0.0000 Cl  0  0
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 15 20  1  0
 20 21  2  0
 21 12  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
12999

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Acecainide

> <ctcr_id>
5999

> <supplier_cmpd_id>
T0249

> <smiles>
Cl.CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1

> <pd_targets>
{BLM,POLB,CYP3A4,THRB,SMN1,KCNH2,NFKB1,ALDH1A1,CHRM1,SLC22A1,SLC22A2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Ion channel","Other cytosolic protein","Membrane receptor",Transporter,"Cytochrome P450","Nuclear receptor",Reader,"Voltage-gated ion channel",Ox
idoreductase,"Family A G protein-coupled receptor","Electrochemical transporter","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Methyl-lysine/arginine binding protein","Potassium c
hannels","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group A","Tudor domain","Voltage-gated potassi
um channel","Monoamine receptor","SLC22 family of organic cation and anion transporters","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Cytochrome P450","Nuclear hormone receptors","Voltage-gated ion channels","G protein-coupled receptors","SLC superfamily of solute carriers","CYP3 famil
y","1A. Thyroid hormone receptors","Potassium channels","Acetylcholine receptors (muscarinic)","SLC22 family of organic cation and anion transporters","Voltage-gated potassium channels","Organic catio
n transporters (OCT)"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Metabolism of proteins","Metabolism of RNA","Muscle contraction","Immune System","Signal Transduction","Transport of small molecules","DNA Double-Strand Break Repair","Base E
xcision Repair","Metabolism of lipids","Post-translational protein modification","Metabolism of non-coding RNA","Cardiac conduction","Cytokine Signaling in Immune system","Biological oxidations","Sign
aling by GPCR","SLC-mediated transmembrane transport","Homology Directed Repair","Resolution of Abasic Sites (AP sites)","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"snRNP 
Assembly","Phase 3 - rapid repolarisation","Signaling by Interleukins","Phase I - Functionalization of compounds","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amin
e compounds","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Biosynthesis of DHA-derived S
PMs","SUMO E3 ligases SUMOylate target proteins","Interleukin-1 family signaling","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion/zwitterion transport","HDR through Ho
mologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of maresins","SUMOylation of intracellular receptors","Interleukin-1 signaling","Amine ligand-binding recep
tors","Organic cation transport","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Pre
synaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{SCN5A}

> <broad_moa>
{"polarization inhibitor"}

> <synonyms>
{"Benzamide, 4-(acetylamino)-N-(2-(diethylamino)ethyl)-, monohydrochloride","Benzamide, 4(acetylamino)N(2(diethylamino)ethyl), monohydrochloride","Acecainide hydrochloride",34118-92-8,34118928,"N-ACET
YLPROCAINAMIDE HYDROCHLORIDE","NACETYLPROCAINAMIDE HYDROCHLORIDE","Acecainide HCl",NAPA,UNII-B9K738KX14,UNIIB9K738KX14,4-acetamido-N-(2-(diethylamino)ethyl)be,4acetamidoN(2(diethylamino)ethyl)be,T3575
,T0249,2300154,Acecainide,"ACECAINIDE HYDROCHLORIDE"}

> <pdid>
PD013603

> <targets>
{}

> <classes>
{antiarrhythmic}

> <pubchem_cids>
{71417,67108272}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
   12.5852   -0.0431    0.0000 H   0  3
   10.0852   -0.0431    0.0000 Cl  0  5
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 10  1  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13000

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Cyproheptadine hydrochloride

> <ctcr_id>
1615

> <supplier_cmpd_id>
T0174

> <smiles>
[H+].[Cl-].CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24

> <pd_targets>
{HTR1A,HTR1B,HTR1D,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR3B,HTR4,HTR5A,HTR5B,HTR6,HTR7,CYP2C19,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,HRH4,SLC6A2,SETD7,ADRA1A,HRH1,TSHR,ALDH1A1,TP53,CYP2D6,DRD2,DRD3,SCN1A,SCN2A,SCN
3A,FFP,LEF,ADRA1B,SLC6A4,HTT,ADRA1D,DRD1,DRD4,DRD5,CYP1A2,HSD17B10,PMP22,RORC,LMNA,MAPT,KMT2A,MEN1,ADRA2B,HRH2,KCNH2,ADRA2C,CACNA1C,ADRA2A,MTOR}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Epigenetic regulator","Transcription factor","Ion channel","Unclassified protein","Other nuclear protein","Other cytosolic protein","Family A G protein-coupled
 receptor","Cytochrome P450","Electrochemical transporter",Writer,Oxidoreductase,"Voltage-gated ion channel",Transferase,Protease,"Ligand-gated ion channel","Nuclear receptor",Reader,Kinase,"Small mol
ecule receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Protein methyltransferase","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Metallo p
rotease","5HT3 receptor","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1",Bromodomain,"Potassium channels","Voltage-gated calcium channel","Protein Kinase","Monoamine receptor","Cytoc
hrome P450 family 2C","SLC06 neurotransmitter transporter family","SET domain","Glycohormone receptor","Cytochrome P450 family 2D","Metallo protease MAE clan","Cytochrome P450 family 1A","Nuclear horm
one receptor subfamily 1 group F","Voltage-gated potassium channel","Atypical protein kinase group","Serotonin receptor","Cytochrome P450 2C19","Acetylcholine receptor","Histamine receptor","Adrenergi
c receptor","Cytochrome P450 2D6","Dopamine receptor","Metallo protease M34 family","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family",
"Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Chromatin modifying enzymes","Ligand-gated ion channels","Nuclear h
ormone receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors","Histamine receptors","SLC6 neurotransmitter transporter f
amily","2.1.1.43 Histone methyltransferases (HMTs)",Adrenoceptors,"Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","Dopamine receptors","5-HT<sub>3</sub> receptors","CYP1 family
","1F. Retinoic acid-related orphans","Potassium channels","Voltage-gated calcium channels",Atypical,"Monoamine transporter subfamily","Voltage-gated potassium channels","Phosphatidyl inositol 3' kina
se-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Chromatin organization","Cell Cycle","Neuronal System","Gene expression (Transcription)","Developmental Biology","Muscle contraction","Biological oxidations"
,"Infectious disease","Signaling by GPCR","Disorders of transmembrane transporters","Chromatin modifying enzymes","Cell Cycle Checkpoints","Transmission across Chemical Synapses","RNA Polymerase II Tr
anscription","Metabolism of amino acids and derivatives","Nervous system development",Mitotic,"Cardiac conduction","Phase I - Functionalization of compounds","Leishmania infection","GPCR ligand bindin
g","SLC transporter disorders","PKMTs methylate histone lysines","G1/S DNA Damage Checkpoints","Uptake and actions of bacterial toxins","Neurotransmitter clearance","Neurotransmitter receptors and pos
tsynaptic signal transmission","Generic Transcription Pathway","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Phase 3 - rapid repola
risation","Axon guidance","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intoleran
ce (OI)","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of anthrax toxins","Serotonin clearance from the synaptic cleft","Transcriptional Regulation by MECP2","Tra
nscriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","NCAM signaling for neurite out-growth","Transcriptional Regulation by TP53",X
enobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity","R
UNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Post NMDA receptor activation events","NCAM1 interactions","Regulation of TP53 Activity","CYP2E1 reactions","ADORA2B mediated ant
i-inflammatory cytokines production","Serotonin receptors","Histamine receptors",Adrenoceptors,"Muscarinic acetylcholine receptors","Stabilization of p53","Dopamine receptors","Aromatic amines can be 
N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiqu
itin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,CHRM1,CHRM2,CHRM3,HRH1,HTR2A,HTR2C,HTR6,HTR7}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{RESTW10,"RESTW 10",AKOS024366257,MCULE-4137922083,MCULE4137922083,"MCULE 4137922083",ST50999681,"4-dibenzo(b,f)(7)annulen-5-ylidene-1-methylpiperidine, chloride","4dibenzo(b,f)(7)annulen5ylidene1meth
ylpiperidine, chloride","4 dibenzo(b",f)(7)ann,S2044,SAM001246883,1505973,Prestw-103,"Cyproheptadine HCl",CPD000058431,"CYPROHEPTADINE HYDROCHLORIDE","Cyproheptadine hydrochloride"}

> <pdid>
PD010029

> <targets>
{"Histamine Receptor"}

> <classes>
{antipruritic,H1-antihistamine,"Neuronal Signaling"}

> <pubchem_cids>
{43834424,657241,13770}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13001

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Fluorouracil

> <ctcr_id>
604

> <supplier_cmpd_id>
T0984

> <smiles>
Oc1ncc(F)c(O)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5-Fluorouracil,5Fluorouracil,fluorouracil,51-21-8,51218,5-FU,5FU,Fluoroplex,Efudex,Adrucil,Carac,"5-fluoropyrimidine-2,4(1H,3H)-dione","5fluoropyrimidine2,4(1H,3H)dione",Fluracil,Fluoroblastin,Kecime
ton,Carzonal,Timazin,Arumel,Efudix,Fluril,5-Fluoracil,5Fluoracil,Fluracilum,Queroplex,Ulup,Phthoruracil,5-fluoro-,5fluoro,19893,S1209,SAM002264615,1500305,Prestw-1203,"NSC 19893",Fluorouracil,CPD00003
8082,FLUOROURACIL,5-fluorouracil}

> <pdid>

> <targets>
{}

> <classes>
{"pyrimidine antimetabolite",antineoplastic,Anti-metabolite}

> <pubchem_cids>
{3385}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13002

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Doxorubicin hydrochloride

> <ctcr_id>
3694

> <supplier_cmpd_id>
T1020

> <smiles>
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO

> <pd_targets>
{HSP90AA1,HSP90AB1,HIF1A,MAPT,RORC,MAPK1,POLB,SKA,FTL,KEAP1,NFE2L2,S100A4,THRB,STX1,ALDH1A1,FFP,NS1,ALD,GLF,KMT2A,MEN1,RECQL,KDM4E,STAT6,APAF1,BLM,USP2,TGR,NPSR1,CYP3A4,TIM23,BRCA1,POL,"REVERSE TRANSC
RIPTASE",HINDIIIR,NR5A1,TOP1,TOP2A,TOP2B,RAD51,HTR1B,HTR4,CISD1,LANA1,TERT,RNASE1,ALOX15,CASP9,CASP1,MMP2,ABCB1,PAX8,DHCR7,EBP,ABCC1,CHRM1,ERBB2,LCK,EPAS1,SLCO1B3,AURKA,FYN,ABCC4,NS3,HTT}

> <pathway_gtopdb>
{"Other cytosolic protein","Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator","Membrane receptor",Transporter,"Nuclear receptor",Kinase,Oxidoreductase,Transferase,Isomerase,Re
ader,Eraser,Protease,"Family A G protein-coupled receptor","Cytochrome P450",Hydrolase,"Primary active transporter","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase
",Bromodomain,"Lysine demethylase","Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 5","Small molecule receptor (family A GPCR)","M
etallo protease","ATP-binding cassette","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group A","
Jumonji domain-containing","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 5 group A","Monoamine receptor","Cystein
e protease CD clan","Metallo protease MAM clan","ABCB subfamily","ABCC subfamily","TK protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides","Other protein kinase group",
"Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C1A family","Cysteine protease C19 
family","Neuropeptide receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 5 group A member 1","Serotonin receptor","Cysteine protease C14 family","Metallo protease M10A subfamily","Ace
tylcholine receptor","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Other protein kinase AUR family","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA","Serine prot
ease","Serine protease PA clan","Serine protease S29 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Transcription factors","Peptidases and proteinases","G protein
-coupled receptors","Cytochrome P450","Heat shock proteins","DNA topoisomerases","Eicosanoid turnover","ATP-binding cassette transporter family","Catalytic receptors","SLC superfamily of solute carrie
rs","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","STAT transcription factors","CA: Cysteine (C) 
Peptidases","Neuropeptide S receptor","CYP3 family","5A. Fushi tarazu F1-like receptors","5-Hydroxytryptamine receptors",Lipoxygenases,"CD: Cysteine (C) Peptidases","MA: Metallo (M) Peptidases","ABCB 
subfamily","ABCC subfamily","Acetylcholine receptors (muscarinic)","Receptor kinases","SLCO family of organic anion transporting polypeptides","Mitogen-activated protein kinases (MAP kinases)","C19: U
biquitin-specific protease","C14: Caspase","M10: Matrix metallopeptidase","TK: Tyrosine kinase","Other protein kinases","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","Aurora kinase (Aur) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","Immune System","DNA Repair","Vesicle-mediated transport","Metabolism of proteins",Metabolism,"Programmed 
Cell Death",Disease,"Cell Cycle","Signal Transduction",Autophagy,"Developmental Biology",Hemostasis,"Cellular responses to stress","Transmission across Chemical Synapses","RNA Polymerase II Transcript
ion","Innate Immune System","Base Excision Repair","Membrane Trafficking","Post-translational protein modification","Biological oxidations",Apoptosis,"DNA Double-Strand Break Repair","Infectious disea
se","Metabolism of lipids",Mitotic,"Signaling by GPCR","Chromosome Maintenance","Chaperone Mediated Autophagy","Nervous system development","Abacavir transport and metabolism","Platelet activation","s
ignaling and aggregation","Cellular response to hypoxia","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor Cascades","Resolution of 
Abasic Sites (AP sites)","trans-Golgi Network Vesicle Budding",SUMOylation,"Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","Intrinsic Pathway for Apoptosis","
Homology Directed Repair","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Mitotic G1 phase and G1/S transition","GPCR ligand binding","Telo
mere Maintenance","Axon guidance","Abacavir transmembrane transport","Fatty acid metabolism","HIV Infection","Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","Resolution o
f AP sites via the multiple-nucleotide patch replacement pathway","Golgi Associated Vesicle Biogenesis","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","STING mediated induction of hos
t immune responses","Apoptotic factor-mediated response","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Leishmania parasite growth 
and survival","Biosynthesis of DHA-derived SPMs","G2/M Transition","G0 and Early G1","Class A/1 (Rhodopsin-like receptors)","Extension of Telomeres","Biosynthesis of DPA-derived SPMs","EPH-Ephrin sign
aling","Arachidonic acid metabolism","Semaphorin interactions","Host Interactions of HIV factors","Bile acid and bile salt metabolism","Platelet degranulation","Post NMDA receptor activation events","
RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","PCNA-Dependent Long Patch Base Excision Repair","SUMOylation of intracellular receptors","STAT6-mediat
ed induction of chemokines","Cytochrome c-mediated apoptotic response","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania paras
ite infection","Biosynthesis of maresins","Centrosome maturation","SUMOylation of DNA replication proteins","Transcription of E2F targets under negative control by DREAM complex","Amine ligand-binding
 receptors","Telomere Extension By Telomerase","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","EPH-ephrin mediated repulsion of cells","Synthesis of Leukotrienes (LT)
 and Eoxins (EX)","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Recycling of bile acids and salts","Activation of AMPK downstream of NMDARs","MAP ki
nase activation","Formation of apoptosome","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centrosome","Serotonin receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","T
P53 Regulates Transcription of Caspase Activators and Caspases","Muscarinic acetylcholine receptors","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surf
ace receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Regul
ation of the apoptosome activity","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regul
ation","ERK/MAPK targets","ERKs are inactivated","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX1","Regulation of MECP2 expression and activity","RUNX1 regulates genes involv
ed in megakaryocyte differentiation and platelet function"}

> <broad_targets>
{CHD1,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"ADM hydrochloride",25316-40-9,25316409,"Hydroxydaunorubicin hydrochloride","Epirubicin HCl","FI 6804","4-epi-Adriamycin hydrochloride","4'epiAdriamycin hydrochloride",56390-09-1,56390091,MLS00270210
7,"DOX HCl",NSC123127,"Doxorubicin, Hydrochloride",14-Hydroxydaunorubicin,14Hydroxydaunorubicin,"Doxorubicin hydrochloride_AOD",T0125,T1020,123127,NSC256942,"NSC 123127","Epirubicin hydrochloride","Do
xorubicin hydrochloride"}

> <pdid>
PD000383

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{32874,5458238,68441416}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 11  0  0  1  0            999 V2000
    7.8083   -0.6274    0.0000 Cl  0  0
    5.3077   -0.6882    0.0000 N   0  0
    4.0197   -1.4569    0.0000 C   0  0  2  0  0  0
    3.2676   -2.7548    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  3  1  0
  5  6  1  1
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13003

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Tranylcypromine (2-PCPA) hydrochloride

> <ctcr_id>
10998

> <supplier_cmpd_id>
T1025

> <smiles>
Cl.N[C@@H]1C[C@H]1c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{KDM1A,MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{98647,1986-47-6,1986476,"trans-2-Phenylcyclopropanamine hydrochloride","trans2Phenylcyclopropanamine hydrochloride","Tranylcypromine hydrochloride","trans-2-Phenylcyclopropylamine hydrochloride","tra
ns2Phenylcyclopropylamine hydrochloride","(1R,2S)-2-phenyl-cyclopropylamine hydrochloride","(1R,2S)2phenylcyclopropylamine hydrochloride",37388-05-9,37388059,"2-PCPA Hydrochloride","2PCPA Hydrochlorid
e",(1R,2S)-2-Phenylcyclopro,2S)2Phenylcyclopro,T1025,"Tranylcypromine (2-PCPA) hydrochloride"}

> <pdid>
PD013254

> <targets>
{MAO}

> <classes>
{Metabolism}

> <pubchem_cids>
{2723716}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13004

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Docetaxel

> <ctcr_id>
4639

> <supplier_cmpd_id>
T1034

> <smiles>
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

> <pd_targets>
{MAPK1,FFP,FTL,KMT2A,MEN1,RORC,KIF11,EGFR,GHRHR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,NOD2,ABCB11,CYP3A4,TACR2,TUBB5,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Other cytosolic protein","Membrane receptor","Structural protein",Transporter,Kinase,Transferase,Reader,"Nuclear receptor"
,"Family B G protein-coupled receptor","Primary active transporter","Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide
 receptor (family B GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","TK protein k
inase group","Glucagon-like receptor","ABCB subfamily","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase MAPK fam
ily","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase EGFR family","Growth hormone-releasing hormone receptor","Cytochrome P450 3A4","Neurokinin receptor","Nuclear horm
one receptor subfamily 1 group I member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Kinesins,"Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporte
r family","Cytochrome P450",Tubulins,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Receptor kinases","Glucagon receptor family","Pattern recognition receptors","
ABCB subfamily","CYP3 family","Tachykinin receptors","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","NOD-like receptor family","ERK sub
family","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction",Disease,Metabolism,"Cell Cycle","Metabolism of proteins","Innate Immune System","Membrane Traffick
ing","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Metabolism of lipids",Mitotic,"Post-translational protein modification","Toll-like Receptor Cascades","trans-Golgi Netw
ork Vesicle Budding","Generic Transcription Pathway","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR downstream signalling","Leishmania infection","Metabolism of steroids","Biosynthesis of spec
ialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G2-G2/M phases",SUMOylation,"Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional regulatio
n by RUNX3","Golgi-to-ER retrograde transport","G alpha (q) signalling events","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Class 
A/1 (Rhodopsin-like receptors)","G2/M Transition","SUMO E3 ligases SUMOylate target proteins","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","COPI-de
pendent Golgi-to-ER retrograde traffic","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts"
,"Biosynthesis of maresins","Peptide ligand-binding receptors","Centrosome maturation","SUMOylation of intracellular receptors","MAP kinase activation","EGFR Transactivation by Gastrin","ADORA2B media
ted anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Tachykinin receptors bind tachykinins","Loss of 
proteins required for interphase microtubule organization from the centrosome","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mi
totic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{RESTW118,"Docetaxel (Taxotere)",SMR000059010,Docetaxel/,MLS000069455,MLS000759480,MLS001423968,SCHEMBL5553029,CHEMBL1510899,MolPort-006-823-826,MolPort006823826,HMS2051A12,HMS3715N15,"Docetaxel(Taxot
ere)/UK 427857",ABP000473,ABP000761,BBL102375,STL556176,ZINC95546207,A,T0186,T1034,SAM001246689,Prestw-1180,"Docetaxel trihydrate",Docetaxel,CPD000059010}

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 13 10  0  0  0  0            999 V2000
   10.1000   -1.1221    0.0000 N   0  0
    7.6000   -1.1221    0.0000 N   0  0
    5.1000   -1.1221    0.0000 Pt  0  2
    1.2999   -3.3035    0.0000 O   0  5
    1.3000   -1.8035    0.0000 C   0  0
    2.5993   -1.0540    0.0000 O   0  0
    0.0000   -1.0607    0.0000 C   0  0
    1.0607    0.0000    0.0000 C   0  0
    0.0000    1.0607    0.0000 C   0  0
   -1.0607    0.0000    0.0000 C   0  0
   -1.3001   -1.8040    0.0000 C   0  0
   -2.5989   -1.0535    0.0000 O   0  5
   -1.3012   -3.3040    0.0000 O   0  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  7  1  0
  7 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  3   3   2   4  -1  12  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13005

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Carboplatin

> <ctcr_id>
1428

> <supplier_cmpd_id>
T1058

> <smiles>
N.N.[Pt++].[O-]C(=O)C1(CCC1)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Paraplatin,UNII-BG3F62OND5,UNIIBG3F62OND5,BG3F62OND5,"cis-Diammine(1,1-cyclobutanedicarboxylato) platinum","cisDiammine(1,1cyclobutanedicarboxylato) platinum","platinum, diammine (1,1-cyclobutane-dic
arboxylato(2-)-0,0')-,(SP-4-2)","platinum, diammine (1,1cyclobutanedicarboxylato(2)0,0'),(SP42)","cis-Diamine(1,1-cyclobutanedicarboxylato)platinum(II)","cisDiamine(1,1cyclobutanedicarboxylato)platinu
m(II)",AMY33401,s1215,CCG-2683,CCG2683,T1058,S1215,1502106,Carboplatin,carboplatin,CARBOPLATIN}

> <pdid>

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{antineoplastic,convulsant,"DNA Damage"}

> <pubchem_cids>
{10339178}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13006

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Theophylline

> <ctcr_id>
5893

> <supplier_cmpd_id>
T1083

> <smiles>
CN1C(=O)N(C)c2[nH]cnc2C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{theophylline,58-55-9,58559,"1,3-Dimethylxanthine","1,3Dimethylxanthine",Theophyllin,Elixophyllin,Theolair,Nuelin,"Theophylline anhydrous",Respbid,Theocin,Theo-dur,Theodur,Elixophylline,Pseudotheophyl
line,Lanophyllin,Theovent,Uniphyl,Slo-phyllin,Slophyllin,Accurbron,Armophylline,Bronkodyl,SAM002554935,1500568,CPD000058537,THEOPHYLLINE}

> <pdid>

> <targets>
{}

> <classes>
{bronchodilator}

> <pubchem_cids>
{2153}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 11  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13007

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Norfloxacin

> <ctcr_id>
3294

> <supplier_cmpd_id>
T1306

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCNCC3

> <pd_targets>
{CYP2J2,GYRA,GYRB,KDM4E,TSHR,HPGD,PARC,HSD17B10,NPSR1,HTT,ALDH1A1,MDTK,TOP2B,LMNA,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,PARE,TOP2A
}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Unclassified protein",Transporter,"Other nuclear protein","Ion channel",Isomerase,Eraser,"Family A G protein-coupled receptor",Oxidoreductase,"Prima
ry active transporter","Ligand-gated ion channel","Lysine demethylase","Peptide receptor (family A GPCR)","ATP-binding cassette","GABA-A receptor","Jumonji domain-containing","Glycohormone receptor","
Short peptide receptor (family A GPCR)","ABCB subfamily","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","G protein-coupled receptors","Eicosanoid turnover","DNA topoisomerases","CYP2 family: drug metabolising subset","1.14.11.- Histone d
emethylases","Glycoprotein hormone receptors","Prostaglandin synthases","Neuropeptide S receptor"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Metabolism of proteins","Cell Cycle","Biological oxidations","Infectious disease","Metabolism of lipids","Metabolism of amino acids and derivativ
es","RNA Polymerase II Transcription","Post-translational protein modification",Mitotic,"Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis of specialized proresolving medi
ators (SPMs)","Branched-chain amino acid catabolism","Generic Transcription Pathway",SUMOylation,"M Phase","Mitotic G1 phase and G1/S transition","Cytochrome P450 - arranged by substrate type","Leishm
ania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by MECP2","Ethanol oxidation","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaph
ase","G0 and Early G1","Fatty acids","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of D-series resolvins","Regulation of MECP2 expression and activity","SUMOylatio
n of DNA replication proteins","Mitotic Anaphase","Transcription of E2F targets under negative control by DREAM complex","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE
) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{RESTW22,norfloxacin,70458-96-7,70458967,Norfloxacine,Noroxin,Chibroxin,Baccidal,Sebercim,MK-366,MK366,Norfloxacinum,Norfloxacino,Barazan,Fulgram,NFLX,AM-715,AM715,Lexinor,Zoroxin,UNII-N0F8P22L1P,UNII
N0F8P22L1P,MFCD00079532,"1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic ac","1ethyl6fluoro4oxo7piperazin1ylquinoline3carboxylic ac",T1306,1500440,Prestw-221,Norfloxacin,NORFLOXACIN}

> <pdid>
PD001831

> <targets>
{Antibiotic,Bacterial,Endogenous Metabolite}

> <classes>
{antibacterial,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6919051,4539}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0  1  0  0  0
   -1.6199    3.9798    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13008

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
Mylosar

> <ctcr_id>
2127

> <supplier_cmpd_id>
T1339

> <smiles>
NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O

> <pd_targets>
{LMNA,THPO,PMP22,BLM,ALDH1A1,NFKB1,AMPC,DNMT1,HBB,GMNN,CHRM1,TP53,HTT,MTOR,DNMT3A}

> <pathway_gtopdb>
{"Other nuclear protein","Unclassified protein",Enzyme,"Other cytosolic protein","Epigenetic regulator","Secreted protein","Membrane receptor","Transcription factor",Oxidoreductase,Hydrolase,Writer,"F
amily A G protein-coupled receptor",Kinase,Reader,"DNA methyltransferase","Small molecule receptor (family A GPCR)","Protein Kinase","Methyl-lysine/arginine binding protein","Monoamine receptor","Atyp
ical protein kinase group","PWWP domain","Acetylcholine receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"2.1.1.- Methyltransferases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Acetylcholine receptors (muscarinic)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (P
IKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Hemostasis,"Developmental Biology","DNA Repair",Metabolism,"Immune System","Metabolism of proteins","Signal Transduction","Gene expression (Transcription)",Mitotic,"Platelet activation",
"signaling and aggregation","Nervous system development","DNA Double-Strand Break Repair","Biological oxidations","Cytokine Signaling in Immune system","Post-translational protein modification","Innat
e Immune System","Signaling by GPCR","Cell Cycle Checkpoints","RNA Polymerase II Transcription","M Phase","Platelet Aggregation (Plug Formation)","EGR2 and SOX10-mediated initiation of Schwann cell my
elination","Homology Directed Repair","Phase I - Functionalization of compounds","Signaling by Interleukins",SUMOylation,"Neutrophil degranulation","Mitotic G1 phase and G1/S transition","GPCR ligand 
binding","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation
","Interleukin-1 family signaling","SUMO E3 ligases SUMOylate target proteins","G1/S Transition","Class A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regu
lation by MECP2","Transcriptional Regulation by TP53","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","SUMOylation of DNA methylation proteins","Activation of
 the pre-replicative complex","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","Nuclear Envelope (NE)
 Reassembly","Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Stabilization of p53","Regulation of TP53 Expression and De
gradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Deg
radation"}

> <broad_targets>
{DNMT1,DNMT3A}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{5-azacytidine,5azacytidine,Azacitidine,320-67-2,320672,Ladakamycin,Azacytidine,Vidaza,Mylosar,5-azacitidine,5azacitidine,Azacitidinum,Azacitidina,"Azacitidinum (INN-Latin)","Azacitidinum (INNLatin)",
5-AZAC,5AZAC,"Azacitidina (INN-Spanish)","Azacitidina (INNSpanish)",NSC-102816,NSC102816,C8H12N4O5,U-18496,U18496,4-Amino-1-beta-D-ribofuranosyl-s-triaz,4Amino1betaDribofuranosylstriaz,T1339,S1782,SAM
002264595,1502111,azacitidine,CPD000857239,AZACITIDINE,"5-Aza-2-deoxycytidine (Decitabine)","5-Azacytidine (Vidaza)"}

> <pdid>
PD001379

> <targets>
{}

> <classes>
{"pyrimidine antimetabolite",antineoplastic}

> <pubchem_cids>
{9444}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6608   -1.8315    0.0000 O   0  0
   -5.1250   -4.3735    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15  7  2  0
 15 16  1  0
 16  2  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13009

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Theophylline-7-acetic acid

> <ctcr_id>
2112

> <supplier_cmpd_id>
T2205

> <smiles>
CN1C(=O)N(C)c2ncn(CC(O)=O)c2C1=O

> <pd_targets>
{ADORA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADORA1}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{652-37-9,652379,"652 37 9","Theophylline-7-acetic acid","Theophylline7acetic acid","Theophylline 7 acetic acid",Acephylline,"Theophyllineacetic acid","Theophyllin-7-ylacetic acid","Theophyllin7ylacet
ic acid","Theophyllin 7 ylacetic acid",7-(Carboxymethyl)theophylline,7(Carboxymethyl)theophylline,"7 (Carboxymethyl)theophylline","7-Theophyllinylacetic acid","7Theophyllinylacetic acid","7 Theophylli
nylacetic acid","7-Theophyllineacetic acid","7Theophyllineacetic acid","7 Theophyllineacetic acid",UNII-M494UE2YEP,UNIIM494UE2YEP,"UNII M494UE2YEP","NSC 52996",(1,3-Dimeth,3Dimeth,"3 Dimeth",T2205,Pre
stw-1507,Acefylline}

> <pdid>
PD000487

> <targets>
{Adenosine Receptor,Phosphodiesterase (PDE),Protein Arginine Deiminase}

> <classes>
{Epigenetics,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{69550}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 N   0  0
   -4.6581    2.9476    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  6 13  1  0
 13  2  1  0
 13 14  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13010

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Temozolomide

> <ctcr_id>
5602

> <supplier_cmpd_id>
T1178

> <smiles>
CN1N=Nc2n(cnc2C(N)=O)C1=O

> <pd_targets>
{KMT2A,MEN1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{MGMT}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{temozolomide,85622-93-1,85622931,Methazolastone,Temodal,Temodar,Temozolamide,"3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide","3methyl4oxo3,4dihydroimidazo(5,1d)(1,2,3,5)tet
razine8carboxamide","Temozolomidum (Latin)","Sch 52365","Temozolodida (Spanish)",Temozolomidum,"CCRG 81045",CCRG-81045,CCRG81045,T1178,362856,S1237,SAM001246636,Prestw-1183,"NSC 362856",Temozolomide,C
PD000466338}

> <pdid>
PD001314

> <targets>
{Apoptosis,Autophagy,DNA Alkylator/Crosslinker}

> <classes>
{Alkylating agent,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5394}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -2.6408    0.8580    0.0000 C   0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.0368    0.6589    0.0000 C   0  0
   -6.4199    0.0830    0.0000 C   0  0
   -6.6139   -1.4044    0.0000 O   0  0
   -4.6863    2.1174    0.0000 C   0  0
   -5.6602    3.2582    0.0000 O   0  0
   -3.1909    2.2347    0.0000 C   0  0
   -2.3989    3.5086    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15  8  1  0
 15 16  1  0
  7 17  1  0
 17  4  2  0
 17 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13011

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
Mizoribine

> <ctcr_id>
605

> <supplier_cmpd_id>
T1188

> <smiles>
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O

> <pd_targets>
{HTT,BLM,ALDH1A1,GAA,KDM4E}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator",Oxidoreductase,Hydrolase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair",Metabolism,Disease,"RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Biological oxidations","Diseases of metabolism","Generic Transcri
ption Pathway","Homology Directed Repair","Phase I - Functionalization of compounds","Diseases of carbohydrate metabolism","Transcriptional Regulation by MECP2","HDR through Homologous Recombination (
HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","Glycogen storage diseases","Regulation of MECP2 expression and activity","HDR through Homologous Recombination (HRR)","Glycogen storage dise
ase type II (GAA)","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC289637,"NSC 289637;HE 69",SCHEMBL7119,CHEMBL165000,HMS3372M17,HMS3869H13,AKOS015895934,NSC-289637,AK162477,LS-13657,LS13657,NCI60_002375,NCI60002375,NCI60-002375,"NCI60 002375",FT-0630635,FT063063
5,FT-0652030,FT0652030,"1H-Imidazole-4-carboxamide, 5-hydroxy-1-.beta.-D-ribofuranosyl-","1HImidazole4carboxamide, 5hydroxy1.beta.Dribofuranosyl",T1188,S1384,Mizoribine}

> <pdid>
PD002689

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{4213}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 65 72  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0  2  0  0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  0
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1244   -3.0533    0.0000 C   0  0
    2.8460   -4.3683    0.0000 O   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  0
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  0
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  0
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 35 36  2  0
 37 34  1  1
 37 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  6
 41 42  1  0
 42 43  1  0
 42 44  2  0
 40 45  1  0
 45 46  1  1
 46 47  1  0
 45 48  1  0
 48 49  2  3
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 54 53  1  6
 54 28  1  0
 54 37  1  0
 54 55  1  0
 55 45  1  0
 55 51  1  6
 38 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
  8 60  1  0
 60  3  1  0
 61 62  1  0
 62 63  1  0
 62 64  2  0
 62 65  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13012

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Vincristine sulfate

> <ctcr_id>
4962

> <supplier_cmpd_id>
T1270

> <smiles>
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.O[S](O)(=O)=O

> <pd_targets>
{NR5A1,NR0B1,TUBB5,TUBA4A,MAPT,HIF1A,RORC,GAA,LMNA,TUBB2B,TUBA1A,SLCO1B3,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,HTT,SLCO1B1,ABCC1,ALDH1A1,KMT2A,MEN1,BLM,NPSR1,NF
O,PMP22,NS1,GMNN,MTOR}

> <pathway_gtopdb>
{"Transcription factor","Structural protein","Other cytosolic protein",Enzyme,"Other nuclear protein",Transporter,"Unclassified protein","Nuclear receptor",Hydrolase,"Electrochemical transporter","Pri
mary active transporter","Nuclear hormone receptor subfamily 5","Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","ATP-binding cassette
","Nuclear hormone receptor subfamily 5 group A","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of organic anion transporting polypept
ides","ABCC subfamily","Nuclear hormone receptor subfamily 5 group A member 1","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 group F member 3","Epigenet
ic regulator","Membrane receptor",Oxidoreductase,Reader,"Family A G protein-coupled receptor",Protease,Kinase,Bromodomain,"Peptide receptor (family A GPCR)","Cysteine protease","Protein Kinase","Short
 peptide receptor (family A GPCR)","Cysteine protease CA clan","Atypical protein kinase group","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein kinase PIKK family","Atypical pr
otein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,Transporters,"Nuclear hormone receptors",Tubulins,"3.2.1.- Glycosidases","SLC superfamily of solute carriers","ATP-binding cassette transporter family","5A. 
Fushi tarazu F1-like receptors","0B. DAX-like receptors","1F. Retinoic acid-related orphans","SLCO family of organic anion transporting polypeptides","ABCC subfamily","G protein-coupled receptors","Ki
nases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Cell Cycle","Neuronal System","Cellular responses to external stimuli",Disease,Metabolism,"Post-translational protein modification","RNA Po
lymerase II Transcription",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stress","Diseases of metabolism","Metabolism of lipids",SUMOylation,"Generic Transcription Pathway","M
itotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Diseases of carbohydrate metabolism","M Phase","Metabolism of steroids","Fatty 
acid metabolism","SUMO E3 ligases SUMOylate target proteins","Nuclear Receptor transcription pathway","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline
 hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Transcription
al Regulation by MECP2","Arachidonic acid metabolism","SUMOylation of intracellular receptors","Centrosome maturation","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell 
Migration","Glycogen storage disease type II (GAA)","Mitotic Anaphase","Recycling of bile acids and salts","Regulation of MECP2 expression and activity","Synthesis of Leukotrienes (LT) and Eoxins (EX)
","Loss of proteins required for interphase microtubule organization from the centrosome","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Loss of Nlp from mitotic centros
omes","Initiation of Nuclear Envelope (NE) Reformation","DNA Repair","Developmental Biology","Biological oxidations","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",
"Phase I - Functionalization of compounds","Homology Directed Repair","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Et
hanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","G1/S Transition","Transcriptional Regulation by TP53","HDR thr
ough Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Regulation of TP53 Activity","Homologous DNA Pair
ing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Re
gulation of TP53 Degradation"}

> <broad_targets>
{TUBA4A,TUBB}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{"Vincristine sulfate",Oncovin,"Vincristine sulfate salt",2068-78-2,2068782,"Vincristine sulphate","Vincristine (sulfate)",UNII-T5IRO3534A,UNIIT5IRO3534A,C46H58N4O14S,Vincrex,Onkovin,Vincrisul,MLS0008
63277,T5IRO3534A,"VCR sulfate",Marqibo,SMR000058540,Lill,SAM001246570,CPD000058540}

> <pdid>
PD003310

> <targets>
{Apoptosis,Microtubule/Tubulin}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Cytoskeleton}

> <pubchem_cids>
{5388992}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    3.9200   -5.8774    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13013

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Cytarabine

> <ctcr_id>
910

> <supplier_cmpd_id>
T1272

> <smiles>
OC[C@H]1OC([C@@H](O)[C@@H]1O)N2C=CC(=N)NC2=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Arabinofuranosylcytosine,Aracytidine,Cytarabina,Cytarabinoside,Spongocytidine,Arabitin,Aracytin,Aracytine,Arafcyt,Cytarabin,Depocyt,Erpalfa,3083-52-1,3083521,Alexan,Iretin,"Arabinoside C",Arabinosylc
ytosine,"Cytosine arabinose","Depocyt (liposomal)",C,1500217,CYTARABINE}

> <pdid>

> <targets>
{}

> <classes>
{antineoplastic,antiviral,antimetabolite}

> <pubchem_cids>
{114682}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 35  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.8256    0.9670    0.0000 O   0  0
   -3.1375    2.4342    0.0000 C   0  0
   -4.2511    3.4361    0.0000 C   0  0
   -3.6410    4.8064    0.0000 C   0  0
   -4.2392    6.1763    0.0000 C   0  0
   -5.7305    6.3383    0.0000 C   0  0
   -6.3358    7.7107    0.0000 C   0  0
   -5.4499    8.9212    0.0000 C   0  0
   -6.0552   10.2936    0.0000 C   0  0
   -5.1693   11.5040    0.0000 C   0  0  1  0  0  0
   -5.7746   12.8765    0.0000 O   0  0
   -3.6781   11.3421    0.0000 C   0  0
   -3.0727    9.9696    0.0000 C   0  0
   -3.9586    8.7592    0.0000 C   0  0  1  0  0  0
   -2.4674    8.5972    0.0000 C   0  0
   -3.3533    7.3867    0.0000 C   0  0
   -1.8621    7.2247    0.0000 C   0  0
   -1.2567    5.8523    0.0000 C   0  0
   -2.1493    4.6496    0.0000 C   0  0  1  0  0  0
   -0.6837    4.3300    0.0000 C   0  0
   -1.8384    3.1842    0.0000 C   0  0
   -0.7237    2.1806    0.0000 C   0  0  2  0  0  0
    0.7376    2.5192    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  1
 21 23  1  0
 23 12  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 11  1  0
 26 27  1  1
 26 28  1  0
 28  9  1  0
 28 29  1  0
 29  5  1  0
 29 30  1  6
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13014

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Diosgenin

> <ctcr_id>
3529

> <supplier_cmpd_id>
T2867

> <smiles>
C[C@@H]1CC[C@@]2(OC1)OC3CC4C5CC=C6C[C@@H](O)CC[C@]6(C)C5CC[C@]4(C)C3[C@@H]2C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{steroid}

> <synonyms>
{C27H42O3,512-04-9,512049,Spectrum_000780,Spectrum000780,Spectrum-000780,"Spectrum 000780",SpecPlus_000627,SpecPlus000627,SpecPlus-000627,"SpecPlus 000627",Spectrum2_000218,Spectrum2000218,Spectrum2-0
00218,"Spectrum2 000218",Spectrum3_001251,Spectrum3001251,Spectrum3-001251,"Spectrum3 001251",Spectrum4_001354,Spectrum4001354,Spectrum4-001354,"Spectrum4 001354",Spectrum5_000287,Spectrum5000287,Spec
trum5-000287,"Spectrum5 000287",BSPBio_002782,BSPBio002782,BSPBio-002782,"BSPBio 002782",KBioGR_001907,KBioGR001907,KBioGR-001907,"KBioGR 001907",KBioSS_001260,KBioSS001260,KBioSS-001260,"KBioSS 00126
0",SPECTRUM100318,DivK1c_006723,DivK1c006723,DivK1c-006723,"DivK1c 006723",SPBio_000235,SPBio000235,SPBio-000235,"SPBio 000235",KBio1_001667,KBio1001667,KBio1-001667,"KBio1 001667",KBio2_001260,KBio20
01260,KBio2-001260,"KBio2 001260",KBio2_003828,KBio2003828,KBio2-003828,"KBio2 003828",KBio,T2867,100318,Diosgenin,DIOSGENIN}

> <pdid>
PD002291

> <targets>
{}

> <classes>
{"estrogen; LD50(rat) 4872 mg/kg ip. LD50 (mouse) >8000 mg/kg po",antiinflammatory}

> <pubchem_cids>
{6708723}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 C   0  0
    6.4772    3.7666    0.0000 O   0  0
    3.8787    3.7539    0.0000 N   0  0
    3.8682    5.2539    0.0000 C   0  0
    2.5640    5.9949    0.0000 C   0  0
    1.2702    5.2360    0.0000 N   0  0
    1.2806    3.7360    0.0000 C   0  0
    2.5847    2.9950    0.0000 C   0  0
   -0.0363    5.9747    0.0000 C   0  0
   -0.0493    7.4746    0.0000 O   0  0
   -1.3297    5.2135    0.0000 C   0  0
   -2.7509    5.2443    0.0000 C   0  0
   -1.9874    3.9532    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  7  1  0
 17 12  1  0
  5 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13015

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Olaparib

> <ctcr_id>
6030

> <supplier_cmpd_id>
T3015

> <smiles>
Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5

> <pd_targets>
{PARP10,TNKS2,PARP16,PARP1,PARP3,PARP2,TNKS,PARP12,PARP15,PARP4,PARP6}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"Signal Transduction","DNA Repair","Infectious disease","Intracellular signaling by second messengers","Base Excision Repair","SARS-CoV Infections","PIP3 activates AKT signaling","Influenza I
nfection","Resolution of Abasic Sites (AP sites)","SARS-CoV-1 Infection","PTEN Regulation","Influenza Viral RNA Transcription and Replication","Resolution of AP sites via the multiple-nucleotide patch
 replacement pathway","Translation of structural proteins","Regulation of PTEN stability and activity","vRNA Synthesis","POLB-Dependent Long Patch Base Excision Repair","Maturation of nucleoprotein"}

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{Olaparib,763113-22-0,763113220,AZD2281,Lynparza,KU-0059436,KU0059436,"AZD 2281",AZD-2281,"Olaparib (AZD2281, Ku-0059436)","Olaparib (AZD2281, Ku0059436)",UNII-WOH1JD9AR8,UNIIWOH1JD9AR8,KU-59436,KU594
36,AZD2281(olaparib),MFCD13185161,WOH1JD9AR8,"Olaparib (AZD-2281)","Olaparib (AZD2281)",C24H23FN4O3,CHEBI:83766,AZ2281,937799-91-2,937799912,O,T3015,753686,S1060,olaparib}

> <pdid>
PD003576

> <targets>
{PARP,Autophagy,Mitophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{23725625}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    2.4298   -5.7148    0.0000 C   0  0
    0.9385   -5.5534    0.0000 N   0  0
    3.9219   -5.8762    0.0000 C   0  0
    4.8085   -4.6653    0.0000 C   0  0  2  0  0  0
    6.3008   -4.8250    0.0000 C   0  0
    7.2881   -3.7128    0.0000 C   0  0
    8.6555   -4.3295    0.0000 C   0  0
    8.4915   -5.8205    0.0000 C   0  0
    7.0228   -6.1253    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   12.4555   -2.3127    0.0000 P   0  0
   11.1562   -3.0622    0.0000 O   0  0
   13.7548   -3.0622    0.0000 O   0  0
   12.4555   -0.8127    0.0000 O   0  0
   12.4555   -3.8127    0.0000 O   0  0
  1  2  3  0
  1  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 24 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13016

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Ruxolitinib (INCB-18424) phosphate

> <ctcr_id>
11041

> <supplier_cmpd_id>
T3043

> <smiles>
C(#N)C[C@H](C1CCCC1)n1ncc(c1)c1ncnc2c1cc[nH]2.P(=O)(O)(O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ruxolitinib phosphate",1092939-17-7,1092939177,Jakafi,Jakavi,"Ruxolitinib (phosphate)","Ruxolitinib phosphate salt",UNII-436LRU32H5,UNII436LRU32H5,"INCB018424 SALT",CHEBI:66917,436LRU32H5,"1092939-1
7-7 (phosphate)","1092939177 (phosphate)",INC-424,INC424,INCB-18424,INCB18424,"INCB 018424 phosphate",T3043,"Ruxolitinib (INCB-18424) phosphate"}

> <pdid>

> <targets>
{JAK,JAK1,JAK2}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{25127112}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  3
 11  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13017

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
Coumarin

> <ctcr_id>
5157

> <supplier_cmpd_id>
T0775

> <smiles>
O=C1Oc2ccccc2C=C1

> <pd_targets>
{CA7,CA2,CA1,CA6,ACHE,CA14,MAOA,CA5B,CA4,LMNA,CA3,CA13,MAOB,CA5A,CA12,CA15,CA9}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Lyase,Hydrolase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Acetylcholine turnover","Catecholamine turnover"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Cell Cycle","Cellular responses to external stimuli","Reversible hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Cytokine Si
gnaling in Immune system","Metabolism of lipids","Biological oxidations",Mitotic,"Cellular responses to stress","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Ph
ospholipid metabolism","Phase I - Functionalization of compounds","M Phase","Cellular response to hypoxia","Interleukin-12 family signaling","Glycerophospholipid biosynthesis","Amine Oxidase reactions
","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 signaling","Synthesis of PC","Biogenic amines are oxidatively deaminated to aldehydes by 
MAOA and MAOB","Mitotic Anaphase","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformati
on"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA6,CA9,CYP2A6}

> <broad_moa>
{"vitamin K antagonist"}

> <synonyms>
{91-64-5,91645,2H-Chromen-2-one,2HChromen2one,2H-1-Benzopyran-2-one,2H1Benzopyran2one,cumarin,"1,2-Benzopyrone","1,2Benzopyrone",Rattex,chromen-2-one,chromen2one,"Coumarinic anhydride","Tonka bean cam
phor",Coumarine,Benzo-alpha-pyrone,Benzoalphapyrone,"cis-o-Coumarinic acid lactone","cisoCoumarinic acid lactone","o-Hydroxycinnamic acid lactone","oHydroxycinnamic acid lactone",o-Hy,oHy,T0775,140020
8,Coumarin,COUMARIN}

> <pdid>
PD002499

> <targets>
{}

> <classes>
{antihyperglycaemic,antineoplastic,antiinflammatory}

> <pubchem_cids>
{323}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 10  8  0  0  0  0            999 V2000
    9.0000    0.3750    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.4992    0.7496    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13018

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
Metformin hydrochloride

> <ctcr_id>
1065

> <supplier_cmpd_id>
T0740

> <smiles>
Cl.CN(C)C(=N)NC(N)=N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"amino((dimethylamino)iminomethyl)carboxamidine, chloride","Metformin HCl form I","Metformin HCl form II",SBB056982,AKOS024362789,ST50993881,"Metformin hydrochloride",1115-70-4,1115704,"1,1-Dimethylb
iguanide hydrochloride","1,1Dimethylbiguanide hydrochloride","Metformin HCL",1505814,Prestw-4,"METFORMIN HYDROCHLORIDE"}

> <pdid>
PD010095

> <targets>
{}

> <classes>
{antidiabetic}

> <pubchem_cids>
{43833340,14219,53630812}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 N   0  0
   -2.6053    7.5009    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
   -2.5936   -6.0031    0.0000 O   0  0
    0.0042   -5.9990    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13  7  1  0
  6 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22  2  1  0
 22 23  1  0
 23  5  1  0
 23 17  2  0
 20 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13019

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
Ofloxacin

> <ctcr_id>
6437

> <supplier_cmpd_id>
T0902

> <smiles>
CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O

> <pd_targets>
{GYRA,POLB,SKA,KDM4E,RCE1,SLC47A1,PARC,PARE,GYRB,HSD17B10,ALDH1A1,HPGD,ALB,STE24,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,TOP2A,CHRM1
}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,Isomerase,Kinase,Eraser,Protease,"Electrochemical transporter","Lysine demethylase","Metallo protease","SLC superfamily of solute carriers","Jumonji domain-c
ontaining","Metallo protease unclassified clan","SLC47 family of multidrug and toxin extrusion transporters","Metallo protease M79 family","Secreted protein","Ion channel",Oxidoreductase,"Ligand-gated
 ion channel","GABA-A receptor","Serine protease","Metallo protease MAE clan","Serine protease PA clan","Metallo protease M48A subfamily","Serine protease S1A subfamily","Membrane receptor","Family A 
G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Peptidases and proteinases","SLC superfamily of solute carriers","1.14.11.- Histone demethylases","M-: Metallo (M) Peptidases","SLC47 family of mul
tidrug and toxin extrusion transporters","M79: Prenyl protease 2","Eicosanoid turnover","DNA topoisomerases","Prostaglandin synthases",Receptors,"G protein-coupled receptors","Acetylcholine receptors 
(muscarinic)"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","Transport of small molecules","Base Excision Repair","MAPK family signaling cascades","SLC-mediated transmembrane transport","Resolution of Abasic Sites (AP sites)
","MAPK1/MAPK3 signaling","Transport of bile salts and organic acids","metal ions and amine compounds","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","RAF/MAP kinase ca
scade","PCNA-Dependent Long Patch Base Excision Repair","RAS processing",Metabolism,"Cell Cycle","Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids",Mitotic,"Bra
nched-chain amino acid catabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Mitotic G1 phase and G1/S transition
","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","G0 and Early G1","Biosynthesis of D-series resolvins","Recycling of bile acids and salts","Transcription 
of E2F targets under negative control by DREAM complex","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine rece
ptors"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{ofloxacin,82419-36-1,82419361,Floxin,Ofloxacine,Tarivid,Ocuflox,OFLX,Ofloxacino,Ofloxacinum,Exocin,Hoe-280,Hoe280,DL-8280,DL8280,"Floxin otic","HOE 280",Oxaldin,Dextrofloxacin,DL-ofloxacin,DLofloxaci
n,CHEBI:7731,Oflocet,Visiren,CHEMBL4,MFCD00226105,MLS000028749,Ofloxacina,Ofl,SAM002264629,1502044,Prestw-237,CPD000058192,OFLOXACIN,Ofloxacin}

> <pdid>
PD001207

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{4583,3288597}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -1.3132    8.2519    0.0000 O   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2210   11.9975    0.0000 C   0  0
   -6.5226   12.7430    0.0000 C   0  0
   -7.8190   11.9885    0.0000 C   0  0
   -9.1207   12.7340    0.0000 O   0  0
   -7.8138   10.4885    0.0000 C   0  0
   -9.1094    9.7310    0.0000 O   0  0
   -9.1021    8.2310    0.0000 C   0  0
   -6.5122    9.7430    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 15  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13020

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
Curcumin

> <ctcr_id>
5068

> <supplier_cmpd_id>
T1516

> <smiles>
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O

> <pd_targets>
{CYP1A2,APP,MMP13,LMNA,CASP7,HSD17B10,RORC,HIF1A,FTL,HPGD,CYP3A4,ALPI,ATP2A1,TXNRD1,TXNRD2,TXNRD3,PTGS1,PTGS2,CREBBP,EP300,ALPG,HTT,ALOX5,PTGES,GSK3B,FFP,CASP1,KMT2A,MEN1,THRB,ALDH1A1,ALOX15,POLB,NPSR
1,HSPD1,HSPE1,CYP2D6,HSD17B3,CA3,CA1,CA5A,CA9,ABHD5,PLIN1,ANPEP,REP,CISD1,MAOB,MAOA,TLR9,NADD,KDM4E,MAPT,ATP2A3,GROES,GROL,TST,CAMK2A,BACE1,NA,PRKCE,CA12,CA7,CA2,CA5B,CA14,HSD11B1,LEF,STAT3,GLO1,MMP9,
PRKCD,CA4,HSD17B2,HTR4,EGFR,KDM1A,FABI,PRKCQ,TLR4,F3,TSHR,ALOX12,MAPK1,ALD,FTSZ,CDR1,CA6,CA13,CA15,TIM10,PLA2G1B,GSTP1,GAG-POL,PKM,TGR,HBB,SRTA,CYP2C9,CYP2B6,ACHE,NOS2,PAK1,PLIN5,GAA,ATP2A2,STK33,NFE2
L2,SSSIM,VDR,FOS,JUN,TP53,TUBA4A,NFKB1,PROTEASE,POL,USP2,TOP2A,SRC,PSMB5,BLA(TEM-2),NFKB2,RELA,ABCB1,KCNK2,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,ABCC5}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Transcription factor","Unclassified protein",Transporter,"Epigenetic regulator","Other cytosolic protein","Secreted protein","Structural protein","
Ion channel","Cytochrome P450",Protease,Oxidoreductase,"Nuclear receptor",Phosphatase,"Primary active transporter",Writer,Isomerase,Kinase,Transferase,Reader,"Family A G protein-coupled receptor",Lyas
e,"Toll-like and Il-1 receptors",Eraser,Hydrolase,"Voltage-gated ion channel","Cytochrome P450 family 1","Metallo protease","Cysteine protease","Nuclear hormone receptor subfamily 1","Cytochrome P450 
family 3","P-type ATPase","Histone acetyltransferase","Protein Kinase",Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Lysine demethylase","Aspartic protease","Small molecul
e receptor (family A GPCR)","ATP-binding cassette","Threonine protease","Potassium channels","Histone deacetylase","Cytochrome P450 family 1A","Metallo protease MAM clan","Cysteine protease CD clan","
Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Calcium ATPase","p300/CBP family","Cysteine protease CA clan","CMGC protein kinase group","Nuclear hormone receptor subfamily
 1 group A","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Metallo protease MAE clan","Jumonji domain-containing","CAMK protein kinase group","Aspartic protease AA clan","AGC pr
otein kinase group","Monoamine receptor","TK protein kinase group","Lysine-specific demethylase","Glycohormone receptor","ABCB subfamily","Cytochrome P450 family 2C","Cytochrome P450 family 2B","STE p
rotein kinase group","Nuclear hormone receptor subfamily 1 group I","Cysteine protease PAC clan","Threonine protease PBT clan","Two-pore domain potassium channel","HDAC class I","ABCC subfamily","Cyto
chrome P450 1A1","Metallo protease M10A subfamily","Cysteine protease C14 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C1A family","CMGC pro
tein kinase GSK family","Nuclear hormone receptor subfamily 1 group A member 2","Neuropeptide receptor","Cytochrome P450 2D6","Metallo protease M1 family","CAMK protein kinase CAMK2 family","Aspartic 
protease A1A subfamily","AGC protein kinase PKC family","Metallo protease M34 family","Serotonin receptor","Tyrosine protein kinase EGFR family","CMGC protein kinase MAPK family","Cytochrome P450 2C9"
,"Cytochrome P450 2B6","STE protein kinase STE20 family","CAMK protein kinase unique family","Nuclear hormone receptor subfamily 1 group I member 1","Cysteine protease C3A subfamily","Cysteine proteas
e C19 family","Tyrosine protein kinase Src family","Threonine protease T1A subfamily","AGC protein kinase PKC eta subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase ERK1","STE pr
otein kinase PAKA subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","Peptidases and proteinases","Nuclear hormone receptors","Eicosanoid turnover","P-type ATPases","Kinases (EC 2.7.x.x)","Bromod
omain-containing proteins","G protein-coupled receptors","Carbonic anhydrases","Anti-infective targets","Catecholamine turnover","Catalytic receptors","Chromatin modifying enzymes","1.-.-.- Oxidoreduc
tases","Transcription factors","Glycerophospholipid turnover","2.7.1.40 Pyruvate kinases","Acetylcholine turnover","L-Arginine turnover","3.2.1.- Glycosidases","DNA topoisomerases","ATP-binding casset
te transporter family","CYP1 family","MA: Metallo (M) Peptidases","CD: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","Prostaglandin synthases","CYP3 family","P2A P-type ATPases: Ca<sup>
2+</sup>-ATPases",Lipoxygenases,Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Non-enzymatic BRD containing proteins","1A. Thyroid hormone receptors","Neuropeptide S receptor","CYP2 f
amily: drug metabolising subset","Viral protein targets","Pattern recognition receptors","1.14.11.- Histone demethylases","CAMK: Calcium/calmodulin-dependent protein kinases","AA: Aspartic (A) Peptida
ses","AGC: Containing PKA",PKG,"PKC families","STAT transcription factors","5-Hydroxytryptamine receptors","Receptor kinases","Glycoprotein hormone receptors","Phospholipase A<sub>2</sub>","Nitric oxi
de synthases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","2.1.1.43 Histone methyltransferases (HMTs)","Basic leucine zipper domain TFs","1I. Vitamin D receptor-like receptors
","CA: Cysteine (C) Peptidases","PB: Threonine (T) Peptidases","ABCB subfamily","ABCC subfamily","M10: Matrix metallopeptidase","C14: Caspase","Glycogen synthase kinase (GSK) family","M1: Aminopeptida
se N","Coronavirus (CoV) proteins","Toll-like receptor family","CAMK2 family","A1: Pepsin","Protein kinase C (PKC) family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","STE2
0 family","CAMK-unique family","C19: Ubiquitin-specific protease","T1: Proteasome","GSK subfamily","Eta subfamily","Delta subfamily","Receptor tyrosine kinases (RTKs)","ERK subfamily","PAKA subfamily"
,"Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Immune System","Gene expression (Transcription)","Cell Cycle","Programmed Cell Death","Cellular responses to external stimuli","Vesicle-mediated transport",Hemostasis,"Metabolism of prote
ins",Disease,"DNA Repair","Neuronal System","Transport of small molecules","Developmental Biology","Signal Transduction","Biological oxidations","Innate Immune System","RNA Polymerase II Transcription
",Mitotic,Apoptosis,"Metabolism of amino acids and derivatives","Cellular responses to stress","Membrane Trafficking","Metabolism of lipids","Platelet homeostasis","Post-translational protein modifica
tion","Infectious disease","Base Excision Repair","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Amyloid fiber formation","O2/C
O2 exchange in erythrocytes","Diseases of signal transduction by growth factor receptors and second messengers","The citric acid (TCA) cycle and respiratory electron transport","Nervous system develop
ment","Intracellular signaling by second messengers","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Metabolism of carbohydrates","Diseases of metabolism","Cell Cycle Checkpoints","Abaca
vir transport and metabolism","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Generic Transcription Pathway","M Phase","Intrinsic Pathway for Apoptosis","Branched-chain amino
 acid catabolism","Cellular response to hypoxia","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Phospholipid metabolism","Platelet calcium homeostas
is","Post-translational modification: synthesis of GPI-anchored proteins","Fatty acid metabolism","SARS-CoV Infections",SUMOylation,"Resolution of Abasic Sites (AP sites)","Leishmania infection","Sign
aling by Interleukins","Neutrophil degranulation","Neurotransmitter receptors and postsynaptic signal transmission","Sulfur amino acid metabolism","Fcgamma receptor (FCGR) dependent phagocytosis","Ery
throcytes take up carbon dioxide and release oxygen","Metabolism of steroids","Uptake and actions of bacterial toxins","Signaling by FGFR in disease","Pyruvate metabolism and Citric Acid (TCA) cycle",
"Axon guidance","DAG and IP3 signaling","GPCR downstream signalling","PIP3 activates AKT signaling","Signaling by NTRKs","Triglyceride metabolism","Phase II - Conjugation of compounds","HIV Infection"
,"Glucose metabolism","Infection with Mycobacterium tuberculosis","Diseases of carbohydrate metabolism","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell
 cycle","Abacavir transmembrane transport","Glycosaminoglycan metabolism","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2","Mi
totic Metaphase and Anaphase","Apoptotic factor-mediated response","Transcriptional regulation by RUNX3","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi Associated Ve
sicle Biogenesis","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Reduction of cytosolic Ca++ levels","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","A
rachidonic acid metabolism","SARS-CoV-1 Infection","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","Resolution of AP sites via the multiple-nucleot
ide patch replacement pathway","Leishmania parasite growth and survival","Fatty acyl-CoA biosynthesis","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Am
ine Oxidase reactions","Toll Like Receptor 7/8 (TLR7/8) Cascade","Activation of NMDA receptors and postsynaptic events","Degradation of cysteine and homocysteine","Role of phospholipids in phagocytosi
s","Metabolism of steroid hormones","Uptake and function of anthrax toxins","Signaling by FGFR1 in disease","Pyruvate metabolism","EPH-Ephrin signaling","CaM pathway","G alpha (q) signalling events","
PTEN Regulation","G alpha (i) signalling events","Toll Like Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","Triglyceride catabolism","Glutathione conjugation","HIV Life Cycle",Glycolysis,"Resp
onse of Mtb to phagocytosis","Transcriptional regulation by RUNX1","Glycogen storage diseases","p53-Dependent G1/S DNA damage checkpoint","Interleukin-1 family signaling","G0 and Early G1","APC/C-medi
ated degradation of cell cycle proteins","Hyaluronan metabolism",Xenobiotics,"MyD88 cascade initiated on plasma membrane","RUNX2 regulates genes involved in cell migration","Mitotic Anaphase","Cytochr
ome c-mediated apoptotic response","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Synthesis of PA","Regulation of MECP2 expressio
n and activity","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","SARS-CoV-1 Genome Replication and Transcription","Regulation of TP53 Activity","TP53 Regulates T
ranscription of Cell Death Genes","SUMOylation of intracellular receptors","PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Synthe
sis of very long-chain fatty acyl-CoAs","Interleukin-12 signaling","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MyD88 dependent cascade initiated on endosome","Post NMDA
 receptor activation events","Sulfide oxidation to sulfate","Glucocorticoid biosynthesis","FGFR1 mutant receptor activation","EPH-ephrin mediated repulsion of cells","Calmodulin induced events","Estro
gen biosynthesis","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of PTEN gene transcription","Visual phototransduction","MyD88-independent TLR4 cascade","Nuclear Events (kinase and tra
nscription factor activation)","Acyl chain remodelling of PC","Early Phase of HIV Life Cycle","Synthesis of PC","Suppression of phagosomal maturation","EPHB-mediated forward signaling","RUNX1 regulate
s genes involved in megakaryocyte differentiation and platelet function","Glycogen storage disease type II (GAA)","p53-Dependent G1 DNA Damage Response","Interleukin-1 signaling","Transcription of E2F
 targets under negative control by DREAM complex","Signalling to ERKs","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Hyaluronan biosynthesis and export","Aromatic ami
nes can be N-hydroxylated or N-dealkylated by CYP1A2","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Nuclear Envelope (NE) Reassembly","Activation of caspases through apoptos
ome-mediated cleavage","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived 13-series resolvins","Replication of the SARS-CoV-1 genome","Regulation of TP53 Activity through Acetylation"
,"TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions
","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","TRAF6 mediated induction of NFkB and MA
P kinases upon TLR7/8 or 9 activation","Activation of AMPK downstream of NMDARs","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Signaling by cytosolic FGFR1 fusion
 mutants","EGFR Transactivation by Gastrin","The phototransduction cascade","TRIF(TICAM1)-mediated TLR4 signaling","NGF-stimulated transcription","Biosynthesis of DPAn-3-derived maresins","MAP kinase 
activation","Integration of provirus","Inhibition of nitric oxide production","Stabilization of p53","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degradation","Signa
lling to RAS","APC/C:Cdc20 mediated degradation of mitotic proteins","Initiation of Nuclear Envelope (NE) Reformation","PI5P Regulates TP53 Acetylation","Ras activation upon Ca2+ influx through NMDA r
eceptor",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","MAPK targets/ Nuclear events mediated by MAP kinases","2-LTR ci
rcle formation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the c
ell cycle checkpoint","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{curcumin,458-37-7,458377,Diferuloylmethane,"Natural yellow 3","Turmeric yellow",Curcuma,Turmeric,"Indian saffron","Kacha haldi",Gelbwurz,"Curcumin I",Souchet,Haidr,Halad,Haldar,Halud,"Merita earth","
Terra Merita","Yellow Ginger",(1E,6E)-1,6E)1,7-Bis(4-hy,7Bis(4hy,T1516,81025,NSC32982,"NSC 32982
NSC 32982",Curcumin}

> <pdid>
PD003342

> <targets>
{Autophagy,Epigenetic Reader Domain,Ferroptosis,Histone Acetyltransferase,Influenza Virus,Keap1-Nrf2,Mitophagy}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Epigenetics,NF-ºB}

> <pubchem_cids>
{969516}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  2  0
 12  2  1  0
  9 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 13  1  0
  8 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13021

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Fisetin

> <ctcr_id>
3121

> <supplier_cmpd_id>
T2879

> <smiles>
Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O

> <pd_targets>
{HSD17B10,APEX1,CASP7,MAPT,MAPK1,CYP3A4,ARG1,PIM1,MAPK10,GLO1,ACHE,POL,CDK5,CDK5R1,CDK6,FABI,ALOX15,KMT2A,MEN1,HBB,CREBBP,CSNK2A1,CSNK2A2,CSNK2B,FABG,ALOX12,AMY1A,FFP,HPGD,CASP1,GSK3B,HSD17B3,DXR,LCK,
BCHE,GSK3A,IMPA1,CYP2C9,AURKB,DPP3,SYK,FABZ,LMNA,XDH,CCNB1,CCNB2,CCNB3,CDK1,CDK2,ALD,CSNK2A3,TOP2A,RECQL,KDM4E,ALDH1A1,MAPK14}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Secreted protein","Other nuclear protein",Oxidoreductase,Protease,Kinase,"Cytochrome P450",Hydrolase,Lyase,Reader,Writer,Transferase,Isomerase
,Eraser,"Cysteine protease","Protein Kinase","Cytochrome P450 family 3",Bromodomain,"Histone acetyltransferase","Cytochrome P450 family 2","Metallo protease","Lysine demethylase","Cysteine protease CD
 clan","CMGC protein kinase group","Cytochrome P450 family 3A","CAMK protein kinase group","p300/CBP family","Other protein kinase group","TK protein kinase group","Cysteine protease CA clan","Cytochr
ome P450 family 2C","Metallo protease MAE clan","Jumonji domain-containing","Cysteine protease C14 family","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CAMK protein kinase PIM family","CMG
C protein kinase CDK family","Other protein kinase CK2 family","CMGC protein kinase GSK family","Tyrosine protein kinase Src family","Cysteine protease C1A family","Cytochrome P450 2C9","Other protein
 kinase AUR family","Metallo protease M49 family","Tyrosine protein kinase Syk family","CMGC protein kinase ERK1","CMGC protein kinase JNK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein
 kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Peptidases and proteinases","Kinases (EC 2.7.x.x)","Cytochrome P450","L-Arginine turnover","Acetylcholine turnover","Eicosanoid turnover","Bromodomain-conta
ining proteins","Catalytic receptors","Inositol phosphate turnover","1.-.-.- Oxidoreductases","DNA topoisomerases","Chromatin modifying enzymes","CD: Cysteine (C) Peptidases","CMGC: Containing CDK",MA
PK,GSK3,"CLK families","CYP3 family",Arginase,"CAMK: Calcium/calmodulin-dependent protein kinases",Lipoxygenases,"Non-enzymatic BRD containing proteins","Prostaglandin synthases","Receptor kinases","I
nositol monophosphatase","CYP2 family: drug metabolising subset","MA: Metallo (M) Peptidases","1.14.11.- Histone demethylases","C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","PIM fam
ily","Cyclin-dependent kinase (CDK) family","Glycogen synthase kinase (GSK) family","TK: Tyrosine kinase","Other protein kinases","M49: Dipeptidyl-peptidase III","ERK subfamily","JNK subfamily","CDK4 
subfamily","GSK subfamily","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","CDK1 subfamily","Casein kinase 2 (CK2) family","p38 subfamily","Src family","Syk family"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Programmed Cell Death","Neuronal System","Immune System",Disease,"Cell Cycle","Gene expression (Transcription)","Metabolism of amino acids and derivatives","Base Excision Rep
air",Apoptosis,"Transmission across Chemical Synapses","Innate Immune System","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","The citric acid
 (TCA) cycle and respiratory electron transport",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Inositol phosphate metabolism","Biological oxidations","Metabolism of nucleotides","Bra
nched-chain amino acid catabolism","Resolution of Abasic Sites (AP sites)","Intrinsic Pathway for Apoptosis","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Casca
des","Biosynthesis of specialized proresolving mediators (SPMs)","Neutrophil degranulation","FLT3 signaling in disease","Pyruvate metabolism and Citric Acid (TCA) cycle","Phospholipid metabolism","Mit
otic G1 phase and G1/S transition","Generic Transcription Pathway","SARS-CoV Infections","Fatty acid metabolism","HIV Infection","Synthesis of IP2",IP,"and Ins in the cytosol","Phase I - Functionaliza
tion of compounds","M Phase","Leishmania infection","Nucleobase catabolism","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Apoptotic factor-mediated response","Activat
ion of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Signaling by FLT3 ITD and TKD mutants","Pyruvate metabolism","Glycerophospholip
id biosynthesis","G1 Phase","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","Fatty acyl-CoA biosynthesis","Host Interactions of HIV factors","Cytochrome 
P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Purine catabolism","G0 and Early G1","Ethanol oxidation","PCNA-Dependent Long Patch Base 
Excision Repair","Cytochrome c-mediated apoptotic response","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","STAT5 activation downstream 
of FLT3 ITD mutants","Synthesis of PC","Cyclin D associated events in G1","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of D-series resolvins","SARS-Co
V-1 Genome Replication and Transcription","Synthesis of very long-chain fatty acyl-CoAs","The role of Nef in HIV-1 replication and disease pathogenesis",Xenobiotics,"Mitotic Anaphase","Anti-inflammato
ry response favouring Leishmania parasite infection","Regulation of TP53 Activity","Transcription of E2F targets under negative control by DREAM complex","Activation of caspases through apoptosome-med
iated cleavage","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","TP53 Regulates Transcri
ption of Genes Involved in Cytochrome C Release","Biosynthesis of DPAn-3-derived maresins","TP53 Regulates Transcription of Caspase Activators and Caspases","Replication of the SARS-CoV-1 genome","Nef
-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","CYP2E1 reactions","Separation of Sister Chromatids","FCGR3A-mediated IL10 synthesis","Nuclear Envelope (NE
) Reassembly","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regula
tion","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{CDK6,FASN}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{528-48-3,528483,5-Desoxyquercetin,5Desoxyquercetin,"2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one","2(3,4Dihydroxyphenyl)3,7dihydroxy4Hchromen4one","3,3',4',7-Tetrahydroxyflavone","3,3',4',7
Tetrahydroxyflavone",Cotinin,Fustel,Viset,Fisetholz,Superfustel,Fietin,Fustet,"Junger fustik","3,7,3',4'-Tetrahydroxyflavone","3,7,3',4'Tetrahydroxyflavone","Ventin sumach",T2879,NSC407010,"NSC 407010
",Fisetin}

> <pdid>
PD001338

> <targets>
{PPAR,Sirtuin,TNF Receptor}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5281614}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 22  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    2.6131    7.4988    0.0000 C   0  0
    3.9147    8.2443    0.0000 C   0  0
    5.2111    7.4898    0.0000 C   0  0
    6.5127    8.2353    0.0000 O   0  0
    5.2059    5.9898    0.0000 C   0  0
    3.9043    5.2443    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  5 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20  3  1  0
 20 21  1  1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13022

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
Salidroside

> <ctcr_id>
7507

> <supplier_cmpd_id>
T2717

> <smiles>
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
{PTGS1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Arachidonic acid metabolism","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"}

> <broad_targets>
{APP}

> <broad_moa>
{"beta amyloid protein neurotoxicity inhibitor"}

> <synonyms>
{10338-51-9,10338519,Rhodioloside,Rhodosin,UNII-M983H6N1S9,UNIIM983H6N1S9,MFCD00210553,"2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside","2(4Hydroxyphenyl)ethyl betaDglucopyranoside",CHEBI:9009,CHEMBL
465208,"p-Hydroxyphenethyl glucopyranoside","pHydroxyphenethyl glucopyranoside",M983H6N1S9,DSSTox_CID_28960,DSSToxCID28960,DSSTox-CID-28960,"DSSTox CID 28960",DSSTox_RID_83225,DSSToxRID83225,DSSTox-RI
D-83225,"DSSTox RID 83225",DSSTox_GSID_49034,DSSToxGSID49034,DSSTox-GSID-49034,"DSSTox GSID 49034",C,S2396,Salidroside}

> <pdid>
PD000379

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{159278}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  2  1  0
 18  6  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13023

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
Antrapurol

> <ctcr_id>
176

> <supplier_cmpd_id>
T0800

> <smiles>
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12

> <pd_targets>
{FFP,MAPT,KMT2A,MEN1,HSD17B10,MAPK1,HTT,ALDH1A1,RORC,HPGD,ALOX15,LMNA,TSHR,RXRA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator",Transferase,Reader,Bromodomain,"Unclassified protein","Transcription factor","Other nuclear protein","Membrane receptor",Oxidoreductase,Kinase,
"Nuclear receptor","Family A G protein-coupled receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 2","CMGC protein
 kinase group","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Nuclear hormone receptor subfamily 2 group B","CMGC protein kinase MAPK family","Nuclear hormone receptor subfami
ly 1 group F member 3","Nuclear hormone receptor subfamily 2 group B member 1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orp
hans","Prostaglandin synthases",Lipoxygenases,"Glycoprotein hormone receptors","2B. Retinoid X receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs",Metabolism,"Immune System","Gene expression (Transcription)","Cell Cycle",Disease,"Metabolism of amino acids and derivatives","Innate Immun
e System","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids",Mitotic,"Infectious disease","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Generic Tr
anscription Pathway","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Metabolism of steroids","Toll Like Recepto
r 5 (TLR5) Cascade","Transcriptional Regulation by MECP2","Ethanol oxidation","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Mitotic Metap
hase and Anaphase","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","MyD88 cascade initiated on plasma membrane","Regulation of MECP2 expression and activity","RUNX3 Regu
lates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Sy
nthesis of bile acids and bile salts","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines
 production","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targe
ts","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{laxative}

> <synonyms>
{danthron,"1,8-Dihydroxyanthraquinone","1,8Dihydroxyanthraquinone",117-10-2,117102,Chrysazin,Dantron,Antrapurol,Dorbane,Istizin,Laxanthreen,Diaquone,Laxanorm,Altan,"1,8-Dihydroxyanthracene-9,10-dione"
,"1,8Dihydroxyanthracene9,10dione",Laxipurin,Zwitsalax,Danivac,Dionone,Duolax,Laxipur,9,10-Anthracenedione,10Anthracenedione,1,8-dih,8dih,T0800,NSC7210,211468,"NSC 7210",DANTHRON,LTAN}

> <pdid>
PD000118

> <targets>
{AMPK,Autophagy,Bacterial,Virus Protease}

> <classes>
{cathartic,Anti-infection,Autophagy,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{2950}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0072    7.5009    0.0000 F   0  0
    1.2954    5.2529    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13024

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
Diflunisal

> <ctcr_id>
4014

> <supplier_cmpd_id>
T0808

> <smiles>
OC(=O)c1cc(ccc1O)c2ccc(F)cc2F

> <pd_targets>
{DHFR,LMNA,KDM4E,ALDH1A1,CA2,HSD17B10,KMT2A,MEN1,SLC12A5,TTR,CA1,ALB,HIF1A,ALD,HPGD,PTGS2,RORC,SLC22A6,PTGS1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator",Transporter,"Secreted protein","Transcription factor",Oxidoreductase,Eraser,Lyase,Reader,"Electrochemical transporter","Nuclear receptor","Lysine
 demethylase",Bromodomain,"SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","Jumonji domain-containing","SLC12 family of cation-coupled chloride transporters","Nuclear hormon
e receptor subfamily 1 group F","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Transporters,"Other protein targets",Receptors,"1.-.-.- Oxidoreductases","Chromatin modifying enzymes","Carbonic anhydrases","SLC superfamily of solute carriers",Transthyretin,"Eicosanoid tur
nover","Nuclear hormone receptors","1.14.11.- Histone demethylases","SLC12 family of cation-coupled chloride transporters","Prostaglandin synthases",Cyclooxygenase,"1F. Retinoic acid-related orphans",
"SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Transport of small molecules","Signal Transduction","Immune System","Cellular responses to external stimuli","Gene expression (Transcription)",Mitotic,"Biological oxidations"
,"O2/CO2 exchange in erythrocytes","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","Signaling by GPCR","Cytokine Signaling in Immune system","Metabolism of lipids","
Cellular responses to stress","RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transition","M Phase","Phase I - Functionalization of compounds","Erythrocytes take up carbon dioxide and rel
ease oxygen","Branched-chain amino acid catabolism","Transport of inorganic cations/anions and amino acids/oligopeptides","GPCR downstream signalling","Signaling by Interleukins","Metabolism of steroi
ds","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Transport of bile salts and organic acids","metal ions and amine compoun
ds","Fatty acid metabolism","G1/S Transition","Mitotic Metaphase and Anaphase","Ethanol oxidation","Cation-coupled Chloride cotransporters","G alpha (i) signalling events","Interleukin-12 family signa
ling","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Transcripti
onal regulation by RUNX3","Organic cation/anion/zwitterion transport","Arachidonic acid metabolism","G1/S-Specific Transcription","Mitotic Anaphase","Visual phototransduction","Interleukin-12 signalin
g","Recycling of bile acids and salts","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","Organic anion transport","Synthesis of P
rostaglandins (PG) and Thromboxanes (TX)","Nuclear Envelope (NE) Reassembly","The canonical retinoid cycle in rods (twilight vision)","Gene and protein expression by JAK-STAT signaling after Interleuk
in-12 stimulation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"prostanoid receptor antagonist"}

> <synonyms>
{22494-42-4,22494424,Dolobid,Dolobis,Fluniget,Flovacil,Fluodonil,Adomal,Flustar,"5-(2,4-Difluorophenyl)salicylic acid","5(2,4Difluorophenyl)salicylic acid",MK-647,MK647,"5-(2,4-difluorophenyl)-2-hydro
xybenzoic acid","5(2,4difluorophenyl)2hydroxybenzoic acid",Diflusinal,"MK 647","2-(Hydroxy)-5-(2,4-difluorophenyl)benzoic acid","2(Hydroxy)5(2,4difluorophenyl)benzoic acid",T0808,SAM002554896,1500245,
Prestw-39,Diflunisal,CPD000058723,DIFLUNISAL}

> <pdid>
PD002374

> <targets>
{}

> <classes>
{analgesic,antiinflammatory}

> <pubchem_cids>
{3059}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 41 42  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
    1.2894   -5.2521    0.0000 C   0  0
   -0.0120   -5.9981    0.0000 C   0  0
   -1.3087   -5.2440    0.0000 C   0  0
   -2.6123   -5.9877    0.0000 O   0  0
   -3.9086   -5.2314    0.0000 C   0  0
   -5.2123   -5.9751    0.0000 C   0  0
   -6.5086   -5.2188    0.0000 N   0  0
   -7.8115   -5.9621    0.0000 C   0  0
   -6.5013   -3.7189    0.0000 C   0  0
   -1.3040   -3.7440    0.0000 C   0  0
   -0.0027   -2.9981    0.0000 C   0  0
   10.2915   -1.5124    0.0000 O   0  0
   10.2915   -3.0124    0.0000 C   0  0
    8.9922   -3.7620    0.0000 O   0  0
   11.5915   -3.7624    0.0000 C   0  0
   12.8915   -3.0124    0.0000 C   0  0
   14.1900   -3.7632    0.0000 O   0  0
   12.8929   -1.5115    0.0000 C   0  0
   14.1929   -0.7615    0.0000 C   0  0
   15.4914   -1.5124    0.0000 O   0  0
   14.1943    0.7385    0.0000 O   0  0
   12.8927   -4.5423    0.0000 C   0  0
   11.5940   -5.2930    0.0000 O   0  0
   14.1918   -5.2921    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 20 27  1  0
 27 28  2  0
 28 17  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 33 39  1  0
 39 40  1  0
 39 41  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13025

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
Tamoxifen Z-isomer citrate

> <ctcr_id>
5844

> <supplier_cmpd_id>
T0835

> <smiles>
CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RESTW 14",Tamoxan,Tamoxene,Tamoxin,Tamox,MLS001055370,"Tamoxifen citrate",54965-24-1,54965241,"54965 24 1",Istubal,"Tamoxifen (Citrate)","Tamoxifen citrate salt",UNII-7FRV7310N6,UNII7FRV7310N6,"UNII
 7FRV7310N6",C32H37NO8,"ICI 46474","ICI 46,474","Tamoxifen Citrate (Nolvadex)","54965-24-1 (citrate)","54965241 (citrate)","54965 24 1 (citrate)",7FRV7310N,T0835,180973,S1972,NSC180973,1500557,Prestw-
146,"NSC 180973
NSC 180973","Tamoxifen Z-isomer citrate","Tamoxifen Citrate","TAMOXIFEN CITRATE"}

> <pdid>

> <targets>
{Estrogen/progestogen Receptor,Apoptosis,Autophagy,Estrogen Receptor/ERR,HSP}

> <classes>
{antineoplastic,Endocrinology & Hormones,SERM,estrogen antagonist,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease,Others}

> <pubchem_cids>
{25010734,2733525}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1992   -2.9856    0.0000 C   0  0
   -6.5013   -3.7302    0.0000 F   0  0
   -5.1935   -1.4856    0.0000 F   0  0
   -6.4953   -2.2305    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13026

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
Flufenamic acid

> <ctcr_id>
2871

> <supplier_cmpd_id>
T0858

> <smiles>
OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F

> <pd_targets>
{AKR1B10,PTGS2,PTGS1,TRPM4,LMNA,HIF1A,KMT2A,MEN1,AKR1C3,AKR1C2,AKR1C1,AKR1B1,RORC,FTL,HPGD,MPO,AR,TTR,TSHR,CYP1A2,MAPT,FABP2,CYP2C9,ALD,TRPM2,KCNT2,NAPRT,TRPA1,KCNK2,TEAD4,TRPC6,PKD2L1,GJA3,GJC2,GJA8,
GJA9,GJA10,PANX1,PANX2,PANX3,ANO1,GJE1,GJB7,GJB2,GJB6,GJC3,TRPC5,GJB4,GJB3,GJB5,GJD3,GJB1,GJD2,GJA4,GJA5,GJD4,GJA1,GJC1,TRPM5,PPARA,PPARG}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Other nuclear protein","Transcription factor","Epigenetic regulator","Unclassified protein","Secreted protein","Membrane receptor","Other cytosolic protein","Auxiliary transport
 protein",Oxidoreductase,"Voltage-gated ion channel",Reader,"Nuclear receptor","Family A G protein-coupled receptor","Cytochrome P450","Fatty acid binding protein family",Ligase,"Other ion channel","T
ransient receptor potential channel",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome
 P450 family 2","Potassium channels","Chloride channel","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 3 group C","Glycohormone receptor","Cytochrome P450 family 1A
","Cytochrome P450 family 2C","Two-pore domain potassium channel","Calcium-activated chloride channel","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F memb
er 3","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 1A1","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group C member 1","Nuclear hormone receptor subfamily 1 
group C member 3"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Other protein targets","Eicosanoid turnover","Voltage-gated ion channels","1.-.-.- Oxidoreductases","Nuclear hormone receptors",Transthyretin,"G protein-coupled rece
ptors","Cytochrome P450","Fatty acid-binding proteins","Other ion channels",Cyclooxygenase,"Transient Receptor Potential channels","Prostaglandin synthases","1F. Retinoic acid-related orphans","Steroi
d hormone receptors","Glycoprotein hormone receptors","CYP1 family","CYP2 family: drug metabolising subset","Potassium channels","Connexins and Pannexins","Chloride channels","1C. Peroxisome prolifera
tor-activated receptors","3C. 3-Ketosteroid receptors","Calcium- and sodium-activated potassium channels","Two P domain potassium channels","Calcium activated chloride channel"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Vesicle-mediated transport","Immune System","Signal Transduction",Di
sease,"Neuronal System","Developmental Biology","Metabolism of vitamins and cofactors","Metabolism of lipids","Ion channel transport",Mitotic,"Cellular responses to stress","RNA Polymerase II Transcri
ption","Membrane Trafficking","Innate Immune System","Signaling by GPCR","Infectious disease","Biological oxidations","Transmission across Chemical Synapses","Potassium Channels","Nervous system devel
opment","Transmission across Electrical Synapses","Metabolism of fat-soluble vitamins","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Stimuli-sensing channels","M
 Phase","Cellular response to hypoxia","Metabolism of steroids","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","ROS and RNS production in phagocytes","GPCR downstream signalling
","Leishmania infection","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Triglyceride metabolism","Metabolism of water-soluble vitamins an
d cofactors","Tandem pore domain potassium channels","Axon guidance","Gap junction trafficking and regulation","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling path
ways","Electric Transmission Across Gap Junctions","Retinoid metabolism and transport","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","TRP channels","Mitotic Metaphase and Anaphase",
"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Bile acid and bile salt metabolism","Metabolism of steroid hormones","Transcriptional regulation by RUNX3","Golgi Associated
 Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","Events associated with phagocytolytic activity of PMN cells","Transcriptional regulation by RUNX2","G alpha (i) signalling events","Leishmania 
parasite growth and survival","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Triglyceride catabolism","Nicotinate metabolism","TWIK related pota
ssium channel (TREK)","Netrin-1 signaling","Gap junction trafficking",Inflammasomes,"Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Biosynthesis of DPA
n-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Mitotic Anaphase","Synthesis of bile acids and bile salts","Pregnenolone biosynthesis","RUNX3 Regulates Immune Response and Cell Mig
ration","Biosynthesis of D-series resolvins","RUNX2 regulates bone development","Visual phototransduction","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Post NMDA r
eceptor activation events","Nicotinamide salvaging","RUNX3 regulates YAP1-mediated transcription","Role of second messengers in netrin-1 signaling","Gap junction assembly","The NLRP3 inflammasome","Ac
tivation of gene expression by SREBF (SREBP)","MECP2 regulates transcription factors","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","RUNX2 regul
ates osteoblast differentiation","The canonical retinoid cycle in rods (twilight vision)","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkyla
ted by CYP1A2","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Oligomerization of connexins into connexons","Transport of connexons to the plasma membrane","Initiation of Nuclear Envelop
e (NE) Reformation","Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane"}

> <broad_targets>
{AKR1C3,ANO1,AR,GJA1,GJA10,GJA3,GJA4,GJA5,GJA8,GJA9,GJB1,GJB2,GJB3,GJB4,GJB5,GJB6,GJB7,GJC1,GJC2,GJC3,GJD2,GJD3,GJD4,GJE1,PANX1,PANX2,PANX3,PKD2L1,PTGS1,PTGS2,TRPC5,TRPM2,TRPM5}

> <broad_moa>
{"chloride channel blocker"}

> <synonyms>
{"flufenamic acid",530-78-9,530789,Arlef,"Fluphenamic acid",Nichisedan,Achless,"N-(3-Trifluoromethylphenyl)anthranilic acid","N(3Trifluoromethylphenyl)anthranilic acid",Flufacid,Fullsafe,Lanceat,Paraf
lu,Plostene,Tecramine,Parlef,Parlif,Surika,Flufenaminsaeure,T0858,1501015,Prestw-203,"Flufenamic acid","FLUFENAMIC ACID"}

> <pdid>
PD001503

> <targets>
{AMPK,Calcium Channel,Chloride Channel,COX,Parasite,Potassium Channel}

> <classes>
{analgesic,antiinflammatory,Anti-infection,Epigenetics,Immunology/Inflammation,Membrane Transporter/Ion Channel,Neuronal Signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{3371}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4983    0.7413    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
  9 15  1  0
 15 16  2  0
 16  6  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13027

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
Bufexamac

> <ctcr_id>
6276

> <supplier_cmpd_id>
T0867

> <smiles>
CCCCOc1ccc(CC(=O)NO)cc1

> <pd_targets>
{HIF1A,KDM4E,FTL,HDAC6,CYP1A2,CYP2D6,HDAC10,ALOX5,PTGS1,PTGS2}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Unclassified protein",Eraser,Protease,"Cytochrome P450",Oxidoreductase,"Lysine demethylase","Metallo protease","Histone deacetylase","Cytochrome 
P450 family 1","Cytochrome P450 family 2","Jumonji domain-containing","Metallo protease MAE clan","HDAC class IIb","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Metallo protease M1 family",
"Cytochrome P450 1A1","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","1.14.11.- Histone demethylases","3.5.1.- Histone deacetylases (HDACs)","CYP1 family","CYP2 family: drug metabolising sub
set",Lipoxygenases,Cyclooxygenase}

> <pathway_reactome>
{"Cellular responses to external stimuli","Vesicle-mediated transport","Gene expression (Transcription)",Metabolism,Disease,"Cellular responses to stress","Membrane Trafficking","RNA Polymerase II Tra
nscription","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Cellular response to hypoxia","trans-Golgi Network Vesicl
e Budding","Generic Transcription Pathway","Phase I - Functionalization of compounds","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism
","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX2","Cytochrome P450 - arranged by substrate type",
"Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","RUNX2 regulates bone development",Xenobiotics,"Constitutive Signaling by NOTCH1
 HD+PEST Domain Mutants","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","RUNX2 regulates osteoblast differentiation","Aromatic amines can be N-hydroxylated or N
-dealkylated by CYP1A2","CYP2E1 reactions","Biosynthesis of DPAn-3-derived 13-series resolvins"}

> <broad_targets>
{HDAC10,HDAC6}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{bufexamac,2438-72-4,2438724,"Bufexamic acid",2-(4-Butoxyphenyl)-N-hydroxyacetamide,2(4Butoxyphenyl)Nhydroxyacetamide,Parfenac,Droxaryl,Feximac,Malipuran,Mofenar,Norfemac,Parfenal,4-Butoxy-N-hydroxybe
nzeneacetamide,4ButoxyNhydroxybenzeneacetamide,Bufexamaco,Bufexamacum,Flogicid,"p-Butoxyphenylacetohydroxamic acid","pButoxyphenylacetohydroxamic acid",Para,T0867,1502003,Prestw-243,Bufexamac,BUFEXAMA
C}

> <pdid>
PD001440

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{2466}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    3.9200   -5.8774    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    3.9511   -0.8815    0.0000 C   0  0  2  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  1
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13028

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
Zebularine

> <ctcr_id>
8354

> <supplier_cmpd_id>
T2169

> <smiles>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=NC2=O

> <pd_targets>
{CDA,ADA}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Nucleotide salvage","Adenosine turnover","Pyrimidine salvage"}

> <pathway_reactome>
{Metabolism,"Metabolism of nucleotides","Nucleotide salvage","Pyrimidine salvage","Purine salvage"}

> <broad_targets>
{CDA,DNMT1}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{3690-10-6,3690106,4-Deoxyuridine,4Deoxyuridine,"Pyrimidin-2-one ribonucleoside","Pyrimidin2one ribonucleoside","Pyrimidin-2-one beta-ribofuranoside","Pyrimidin2one betaribofuranoside","Pyrimidin-2-on
e beta-D-ribofuranoside","Pyrimidin2one betaDribofuranoside","NSC 309132",CHEBI:46938,1-beta-D-ribofuranosyl-2(1H)-pyrimidinone,1betaDribofuranosyl2(1H)pyrimidinone,1-beta-D-ribofuranosylpyrimidin-2(1
H)-o,1betaDribofuranosylpyrimidin2(1H)o,2293,Zebularine}

> <pdid>
PD003711

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{100016}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
  9 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13029

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Quercetin

> <ctcr_id>
6759

> <supplier_cmpd_id>
T2174

> <smiles>
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O

> <pd_targets>
{CDK1,THRB,KMT2A,MEN1,USP2,RECQL,TSHR,FFP,LEF,ALOX15,CYP2C9,CYP1A2,HIF1A,HSD17B10,CYP3A4,KDM4E,GAA,POLB,FTL,AMPC,PTPN1,POL,FABZ,PIK3R1,FABI,CD38,MMP13,MPO,FLT3,PLAU,AURKB,XDH,LAP3,ACHE,NA,CSNK2A1,BCHE
,CA4,CA5A,CA5B,RET,CA1,MAPK14,MAPK10,EGFR,AKR1B1,HSD17B2,PIM1,ALOX5,ALOX12,PRSS1,PRSS2,PRSS3,AXL,NUAK1,EPHX2,PIK3CG,CA2,BACE1,CYP1B1,MAPT,CYP2C19,ALDH1A1,DPP3,CA3,PLK1,CYP1A1,CSNK2A2,CSNK2B,PMP22,ALD,
STAT6,CHRM1,CYP2D6,S,ADORA1,ADORA2A,PYGL,GLO1,ALK,DAPK1,NANH,ABCG2,AKR1C21,DPP4,HIF1AN,CA12,LPO,ELANE,MGAM,MGAM2,SI,IP6K2,CYP2C8,MAOB,PDE2A,PKN1,NEK2,UREB,MAPK1,CDK6,MMP2,MMP3,GSK3B,STK33,DRD4,AKR1A1,
CDK2,CYP19A1,APP,ELAVL3,MDH,GSK3A,FABG,MMP9,F2,SORD,HPGD,NPSR1,CALM1,GLR1,CDK5,ELAVL1,CTRB1,AKT1,NFKB1,APEX1,CELA1,REP,LCK,PREP,SRC,IPMK,ATP2A1,AVPR2,IGF1R,TOP2A,KDR,CA9,MMP12,NEK6,BLM,CAMK2B,PLA2G1B,
ABCB1,UREA,AMY1A,BRAF,SYK,LMNA,MAOA,PTGS1,PTGS2,CDK5R1,DDLB,MET,GALK1,DXR,PPO2,CTRC,CA7,CA14,KDM1A,CA6,PTK2,CA13,CSNK2A3,CCND1,CDK4,CCNB1,CCNB2,CCNB3,SLC16A1,CCR4,SLC2A2,ABCC4,PSMB5,GPR35,NOS2,NT5E,SL
C16A7,CXCR1,ABCC1,ADORA3,TRPC5,NOX4,SLC2A4,NQO2,CEBPB,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor","Unclassified protein","Other cytosolic protein",Transporter,"Other nuclear protein","Ion channel",Kinase,"Nuclear receptor",R
eader,Protease,"Family A G protein-coupled receptor",Transferase,Oxidoreductase,"Cytochrome P450",Eraser,Hydrolase,Phosphatase,Lyase,"Primary active transporter",Phosphodiesterase,Isomerase,Ligase,"El
ectrochemical transporter","Voltage-gated ion channel","Protein Kinase","Nuclear hormone receptor subfamily 1",Bromodomain,"Cysteine protease","Peptide receptor (family A GPCR)","Metallo protease","Cy
tochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Lysine demethylase","Protein Phosphatase","Serine protease","Aspartic protease","Small molecule receptor (family A GPCR)"
,"ATP-binding cassette","Phosphodiesterase 2","Cytochrome P450 family 19","P-type ATPase","SLC superfamily of solute carriers","Threonine protease","Transient receptor potential channel","CMGC protein
 kinase group","Nuclear hormone receptor subfamily 1 group A","Cysteine protease CA clan","Glycohormone receptor","Metallo protease MAE clan","Cytochrome P450 family 2C","Cytochrome P450 family 1A","C
ytochrome P450 family 3A","Jumonji domain-containing","Tyrosine protein phosphatase","Metallo protease MAM clan","TK protein kinase group","Serine protease PA clan","Other protein kinase group","Metal
lo protease MF clan","CAMK protein kinase group","Serine protease SC clan","Aspartic protease AA clan","Cytochrome P450 family 1B","Monoamine receptor","Cytochrome P450 family 2D","Nucleotide-like rec
eptor (family A GPCR)","TKL protein kinase group","ABCG subfamily","Phosphodiesterase 2A","AGC protein kinase group","Cytochrome P450 family 19A","Short peptide receptor (family A GPCR)","Calcium ATPa
se","ABCB subfamily","Lysine-specific demethylase","SLC16 family of monocarboxylate transporters","Chemokine receptor","SLC02 family of hexose and sugar alcohol transporters","ABCC subfamily","Threoni
ne protease PBT clan","Carboxylic acid receptor","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase CDK family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine prote
ase C19 family","Metallo protease M34 family","Cytochrome P450 2C9","Cytochrome P450 1A1","Cysteine protease C1A family","Cytochrome P450 3A4","Metallo protease M10A subfamily","Tyrosine protein kinas
e PDGFR family","Serine protease S1A subfamily","Other protein kinase AUR family","Metallo protease M17 family","Other protein kinase CK2 family","Tyrosine protein kinase Ret family","CMGC protein kin
ase MAPK family","Tyrosine protein kinase EGFR family","CAMK protein kinase PIM family","Tyrosine protein kinase Axl family","CAMK protein kinase CAMK1 family","Serine protease S33 family","Aspartic p
rotease A1A subfamily","Cytochrome P450 1B1","Cytochrome P450 2C19","Metallo protease M49 family","Other protein kinase PLK family","Acetylcholine receptor","Cytochrome P450 2D6","Adenosine receptor",
"TKL protein kinase STKR family","CAMK protein kinase DAPK family","Serine protease S9B subfamily","Cytochrome P450 2C8","AGC protein kinase PKN family","Other protein kinase NEK family","CMGC protein
 kinase GSK family","CAMK protein kinase unique family","Dopamine receptor","Cytochrome P450 19A1","Neuropeptide receptor","AGC protein kinase AKT family","Tyrosine protein kinase Src family","Serine 
protease S9A subfamily","Vasopressin and oxytocin receptor","Tyrosine protein kinase InsR family","Tyrosine protein kinase VEGFR family","CAMK protein kinase CAMK2 family","TKL protein kinase RAF fami
ly","Tyrosine protein kinase Syk family","Tyrosine protein kinase Met family","Tyrosine protein kinase Fak family","CC chemokine receptor","Threonine protease T1A subfamily","Kynurenic acid receptor",
"CXC chemokine receptor","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","CAMK prot
ein kinase NuaK subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK5 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Peptidases and proteinases","G protein-coupled receptors","Eicosanoid turnove
r","Cytochrome P450","Chromatin modifying enzymes","3.2.1.- Glycosidases",Phosphatases,"Glycerophospholipid turnover","Abscisic acid receptor complex","1.-.-.- Oxidoreductases","Catalytic receptors","
Acetylcholine turnover","Carbonic anhydrases",Hydrolases,"Transcription factors","Anti-infective targets","ATP-binding cassette transporter family","Catecholamine turnover","Cyclic nucleotide turnover
/signalling","P-type ATPases","DNA topoisomerases","SLC superfamily of solute carriers","L-Arginine turnover","Adenosine turnover","Voltage-gated ion channels","NADPH oxidases","CMGC: Containing CDK",
MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","CA: Cysteine (C) Peptidases","Glycoprotein hormone receptors",Lipoxygenases,"CYP2 family: drug metabolising subset","CYP1 family","CYP3 family
","1.14.11.- Histone demethylases","Protein tyrosine phosphatases non-receptor type (PTPN)","Phosphatidylinositol kinases","MA: Metallo (M) Peptidases","Receptor kinases","PA: Serine (S) Peptidases","
MF: Metallo (M) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases","AA: Aspartic (A) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","STAT transcriptio
n factors","Acetylcholine receptors (muscarinic)","Viral protein targets","Adenosine receptors","ABCG subfamily","SC: Serine (S) Peptidases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","AGC: C
ontaining PKA",PKG,"PKC families","Dopamine receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","Neuropeptide S receptor","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","V
asopressin and oxytocin receptors","Phospholipase A<sub>2</sub>","ABCB subfamily","SLC16 family of monocarboxylate transporters","Chemokine receptors","SLC2 family of hexose and sugar alcohol transpor
ters","ABCC subfamily","PB: Threonine (T) Peptidases","Orphan and other 7TM receptors","Nitric oxide synthases","Transient Receptor Potential channels",Cyclooxygenase,"1I. Vitamin D receptor-like rece
ptors","Cyclin-dependent kinase (CDK) family","C19: Ubiquitin-specific protease","M10: Matrix metallopeptidase","TK: Tyrosine kinase","S1: Chymotrypsin","Other protein kinases","M17: Leucyl aminopepti
dase","Mitogen-activated protein kinases (MAP kinases)","PIM family","CAMK-like (CAMKL) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","A1: Pepsin","M49: Dipeptidyl-peptidase III","Co
ronavirus (CoV) proteins","Death-associated kinase (DAPK) family","S9: Prolyl oligopeptidase","Protein kinase N (PKN) family","Glycogen synthase kinase (GSK) family","CAMK-unique family","Akt (Protein
 kinase B","PKB) family","CAMK2 family","TKL: Tyrosine kinase-like","Class I transporters","T1: Proteasome","Class A Orphans","CDK1 subfamily","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) f
amily","Casein kinase 2 (CK2) family","p38 subfamily","JNK subfamily","NuaK subfamily","Polo-like kinase (PLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","ERK subfamily","CD
K4 subfamily","GSK subfamily","CDK5 subfamily","Non-receptor tyrosine kinases (nRTKs)","RAF family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type I RTKs: ErbB (epid
ermal growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Type II RTKs: Insuli
n receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Syk family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Metabolism of proteins","Gene expression (Transcription)",Disease,Metabolism,"Cellular responses to external stimuli","DNA Repair","Vesicle-mediated transport","Immune System","Signal T
ransduction","Transport of small molecules","Developmental Biology","Neuronal System","Programmed Cell Death",Hemostasis,"Metabolism of RNA","Extracellular matrix organization",Mitotic,"Post-translati
onal protein modification","RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Biological oxidations","Cellular responses to stress","Metabolism of amino acids and derivativ
es","Diseases of metabolism","Base Excision Repair","Membrane Trafficking","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","In
nate Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of nucleotides","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Nervous system development","Cytoki
ne Signaling in Immune system","Signaling by GPCR","Amyloid fiber formation","Transmission across Chemical Synapses","Metabolism of carbohydrates","The citric acid (TCA) cycle and respiratory electron
 transport",Apoptosis,"Abacavir transport and metabolism","Peptide hormone metabolism","Platelet homeostasis","Signaling by Rho GTPases","Diseases of hemostasis","Processing of Capped Intron-Containin
g Pre-mRNA","Inositol phosphate metabolism","Degradation of the extracellular matrix","DNA Double-Strand Break Repair","Intracellular signaling by second messengers","Disorders of transmembrane transp
orters","Platelet activation","signaling and aggregation","SLC-mediated transmembrane transport","Regulation of mitotic cell cycle",SUMOylation,"Generic Transcription Pathway","Leishmania infection","
Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Branched-chain amino acid
 catabolism","Diseases of carbohydrate metabolism","Resolution of Abasic Sites (AP sites)","trans-Golgi Network Vesicle Budding","Signaling by FGFR in disease","Metabolism of water-soluble vitamins an
d cofactors","ROS and RNS production in phagocytes","Signaling by Insulin receptor","Neutrophil degranulation","M Phase","Nucleobase catabolism","Phospholipid metabolism","Erythrocytes take up carbon 
dioxide and release oxygen","Axon guidance","Signaling by Interleukins","Toll-like Receptor Cascades","GPCR downstream signalling","Metabolism of steroids","FLT3 signaling in disease","Signaling by VE
GF","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cytosolic sensors of pathogen-associate
d DNA","GPCR ligand binding","SARS-CoV Infections","Glycogen metabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","Caspase activation via extrinsic apoptotic signalling pathway","Abacavir tra
nsmembrane transport","Incretin synthesis",secretion,"and inactivation","Complement cascade","Interferon Signaling","Nitric oxide stimulates guanylate cyclase","RHO GTPase Effectors","Influenza Infect
ion","Mitotic G1 phase and G1/S transition","Phase II - Conjugation of compounds","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Fructose metabolism","mRNA Splicing","
HIV Infection","Signaling by NTRKs","Synthesis of IPs in the nucleus","Platelet calcium homeostasis","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Collagen degradation","Homolog
y Directed Repair","Diseases of glycosylation","PIP3 activates AKT signaling","SLC transporter disorders","Response to elevated platelet cytosolic Ca2+","Infection with Mycobacterium tuberculosis","Fa
tty acid metabolism","Cellular hexose transport","Cellular Senescence","APC/C-mediated degradation of cell cycle proteins","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by TP
53","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydrox
ylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Golgi Associat
ed Vesicle Biogenesis","Transcriptional Regulation by MECP2","Signaling by FGFR1 in disease","Nicotinate metabolism","Transcriptional regulation by RUNX2","Events associated with phagocytolytic activi
ty of PMN cells","Insulin receptor signalling cascade","Mitotic Metaphase and Anaphase","Purine catabolism","Glycerophospholipid biosynthesis","RET signaling","Interleukin-12 family signaling","Toll L
ike Receptor 5 (TLR5) Cascade","G alpha (q) signalling events","Metabolism of steroid hormones","Signaling by FLT3 ITD and TKD mutants","VEGFA-VEGFR2 Pathway","PI Metabolism","Transcriptional regulati
on by RUNX1","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","G2/M Transition","STING mediated induction of host immune responses","Class A/1 (Rhodopsin-like receptors)","SA
RS-CoV-1 Infection","Glycogen breakdown (glycogenolysis)","Pyruvate metabolism","Caspase activation via Dependence Receptors in the absence of ligand",Synthesis,"and inactivation of Glucagon-like Pept
ide-1 (GLP-1)","Regulation of Complement cascade","Interferon alpha/beta signaling","Amine Oxidase reactions","cGMP effects","RHO GTPases activate PKNs","Virus Assembly and Release","Cobalamin (Cbl","
vitamin B12) transport and metabolism","G1 Phase","EPH-Ephrin signaling","Glutathione conjugation","Defective factor VIII causes hemophilia A","Fructose biosynthesis","mRNA Splicing - Major Pathway","
Interleukin-1 family signaling","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Reduction of cytosolic Ca++ levels","IGF1R signaling cascade","G0 and Early G1","Regulation of gene expr
ession by Hypoxia-inducible Factor","Mitotic Prophase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Semaphorin interactions","Diseases associated with glycosylation p
recursor biosynthesis","PTEN Regulation","Parasite infection","Defective SLC16A1 causes symptomatic deficiency in lactate transport (SDLT)","Defective SLC2A2 causes Fanconi-Bickel syndrome (FBS)","Pla
telet degranulation","Response of Mtb to phagocytosis","Cell recruitment (pro-inflammatory response)","Arachidonic acid metabolism","Netrin-1 signaling","Senescence-Associated Secretory Phenotype (SAS
P)","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SUMOylation of intracellular receptors","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishman
ia parasite infection","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Biosynthesis of maresins","Glycogen storage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","MECP2 regulates n
euronal receptors and channels","FGFR1 mutant receptor activation","RUNX2 regulates genes involved in cell migration","IRS-mediated signalling","Mitotic Anaphase","Synthesis of PC","Interleukin-12 sig
naling","MyD88 cascade initiated on plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","Pregnenolone biosynthesis","Estrogen biosynthesis","STAT5 activation downstream of FLT3 ITD mut
ants","Synthesis of PIPs at the plasma membrane","Endogenous sterols","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Post NMDA receptor activation events","Ce
ntrosome maturation","STAT6-mediated induction of chemokines","Amine ligand-binding receptors","Translation of structural proteins","Nucleotide-like (purinergic) receptors","Biogenic amines are oxidat
ively deaminated to aldehydes by MAOA and MAOB","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Assembly of Viral Components at the Budding Site","Cy
clin D associated events in G1","EPH-ephrin mediated repulsion of cells","SARS-CoV-1 Genome Replication and Transcription","Defective F8 cleavage by thrombin","Biosynthesis of D-series resolvins","Int
erleukin-1 signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","IRS-related events triggered by IGF1R","Transcription of E2F targets under negative control 
by DREAM complex","VEGFR2 mediated cell proliferation","Nuclear Envelope Breakdown","HDR through Homologous Recombination (HRR)","Acyl chain remodelling of PC","Sema4D in semaphorin signaling","Defect
ive GALK1 can cause Galactosemia II (GALCT2)","Regulation of PTEN gene transcription","Leishmania phagocytosis","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Purinergic si
gnaling in leishmaniasis infection","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Role of second messengers in netrin-1 signaling","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulatio
n of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Aromatic amines can be N-h
ydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Separation of Sister Chromatids","Regulation of TP53 Activity 
through Phosphorylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAP kinase activation","EGFR Transactivation by Gastrin","Biosynthesis of DPAn-3-derived 
13-series resolvins","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organization from the centrosome","Muscar
inic acetylcholine receptors","Maturation of spike protein","Adenosine P1 receptors","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Repli
cation of the SARS-CoV-1 genome","Dopamine receptors","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS si
gnaling","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signalling to RAS","Activation of NIMA Kinases N
EK9",NEK6,NEK7,"Homologous DNA Pairing and Strand Exchange","Prolonged ERK activation events","FCGR3A-mediated IL10 synthesis","Nuclear Envelope (NE) Reassembly","Sema4D mediated inhibition of cell at
tachment and migration","FCGR3A-mediated phagocytosis","Chemokine receptors bind chemokines","Inhibition of nitric oxide production","APC:Cdc20 mediated degradation of cell cycle proteins prior to sat
isfation of the cell cycle checkpoint","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Ras activation upon Ca2+ influx t
hrough NMDA receptor","Nef Mediated CD4 Down-regulation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-mediated activation","Initiation of Nuclear Envelope (
NE) Reformation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","ERKs are 
inactivated"}

> <broad_targets>
{ATP5A1,ATP5B,ATP5C1,HCK,HIBCH,PIK3CG,PIM1,STK17B,UGT3A1}

> <broad_moa>
{"polar auxin transport inhibitor"}

> <synonyms>
{quercetin,117-39-5,117395,Meletin,Sophoretin,Xanthaurine,Quercetine,Quercetol,"3,3',4',5,7-Pentahydroxyflavone","3,3',4',5,7Pentahydroxyflavone",Quercitin,Quertine,"2-(3,4-Dihydroxyphenyl)-3,5,7-trih
ydroxy-4H-chromen-4-one","2(3,4Dihydroxyphenyl)3,5,7trihydroxy4Hchromen4one","Flavin meletin","3,5,7,3',4'-Pentahydroxyflavone","3,5,7,3',4'Pentahydroxyflavone",Cyanidelo,T2174,1500672,Quercetin,QUERC
ETIN}

> <pdid>
PD001643

> <targets>
{"PI 3-K",Apoptosis,Autophagy,Mitophagy,PI3K,"Reactive Oxygen Species"}

> <classes>
{antioxidant. antineoplastic,anti-HIV,LD50(mouse) 159 mg/kg po,capillary protectant,Apoptosis,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB,PI3K/Akt/mTOR}

> <pubchem_cids>
{5280343}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13030

> <plate>
PLATE 001

> <well>
D10

> <supplier_cmpd_name>
Nicotinamide

> <ctcr_id>
809

> <supplier_cmpd_id>
T0934

> <smiles>
NC(=O)c1cccnc1

> <pd_targets>
{SIRT2,SIRT1,SIRT3,HST2,PARP1,FAAH,SIRT5,SIR2RP1,SARM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Transferase,Hydrolase,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Poly ADP-ribose polymerases","Endocannabinoid turnover","3.5.1.- Histone deacetylases (HDACs)","<i>N</i>-Acylethanolamine turnover"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Metabolism,"Organelle biogenesis and maintenance","Immune System",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Metabolism of 
lipids","Mitochondrial biogenesis","Innate Immune System","M Phase","Generic Transcription Pathway","Influenza Infection","Fatty acid metabolism","Transcriptional activation of mitochondrial biogenesi
s","Toll-like Receptor Cascades","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Influenza Viral RNA Transcription and Replication","Arachidonic acid metabolism","Toll Like Receptor 4 
(TLR4) Cascade","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","vRNA Synthesis","MyD88
-independent TLR4 cascade","Nuclear Envelope (NE) Reassembly","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK eps
ilon"}

> <broad_targets>
{BST1,LDHA,PARP1,SIRT5}

> <broad_moa>
{"protein synthesis stimulant"}

> <synonyms>
{"3 Pyridinecarboxamide",SR-01000721872,SR01000721872,"Nicotinsaureamid Jenapharm","EINECS 202-713-4","EINECS 2027134","Jenapharm, Nicotinsaureamid",nicotinamide,niacinamide,98-92-0,98920,3-Pyridineca
rboxamide,3Pyridinecarboxamide,"Nicotinic acid amide",pyridine-3-carboxamide,pyridine3carboxamide,"vitamin PP",Papulex,Ami,T0934,SAM001246860,1505397,Prestw-1449,Nicotinamide,CPD000058212,NIACINAMIDE}

> <pdid>
PD000511

> <targets>
{Endogenous Metabolite,Sirtuin}

> <classes>
{Vitamin B3,enzyme cofactor,anti-pellagra,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease}

> <pubchem_cids>
{936}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

  7  5  0  0  0  0            999 V2000
    7.7000    1.1254    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  5
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  CHG  2   1   1   7  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13031

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
Sodium butanoate

> <ctcr_id>
11566

> <supplier_cmpd_id>
T1393

> <smiles>
[Na+].CCCC(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SODIUM BUTYRATE",156-54-7,156547,"Sodium butanoate","Butyric acid sodium salt","Butanoic acid, sodium salt","Butyrate sodium","Butyric acid, sodium salt","Sodium n-butyrate","Sodium nbutyrate","Sodi
um propanecarboxylate","Butanoic acid sodium salt",sodium;butan,T1393}

> <pdid>
PD012187

> <targets>
{"H1 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{5222465}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   11.4855   -3.3824    0.0000 H   0  3
    8.9855   -3.3824    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 N   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  2  3
  6  7  1  0
  7  8  1  0
  7  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13032

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
Phenformin hydrochloride

> <ctcr_id>
4077

> <supplier_cmpd_id>
T1453

> <smiles>
[H+].[Cl-].NC(N)=NC(N)=NCCc1ccccc1

> <pd_targets>
{TSHR,CYP2D26,HIF1A,CYP2D6,LMNA,MAPT,SLC22A1,SLC22A2,PRKAA1,KCNJ8}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Other nuclear protein","Other cytosolic protein",Transporter,"Ion channel","Family A G protein-coupled receptor","Cytochrome P450","Electrochemical 
transporter",Kinase,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Protein Kinase","Potassium channels","Glycohormone r
eceptor","Cytochrome P450 family 2D","SLC22 family of organic cation and anion transporters","CAMK protein kinase group","Inwardly rectifying potassium channel","Cytochrome P450 2D2","Cytochrome P450 
2D6","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Glycoprotein ho
rmone receptors","CYP2 family: drug metabolising subset","SLC22 family of organic cation and anion transporters","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","Organic cati
on transporters (OCT)","CAMK-like (CAMKL) family","Inwardly rectifying potassium channels","AMPK subfamily"}

> <pathway_reactome>
{Disease,"Cellular responses to external stimuli",Metabolism,"Cell Cycle","Neuronal System","Transport of small molecules","Gene expression (Transcription)","Infectious disease","Cellular responses to
 stress","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","SLC-mediated transmembrane transport","RNA Polymerase II Transcription","Potassium Channels","Leishmania infection","C
ellular response to hypoxia","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal i
ons and amine compounds","Generic Transcription Pathway","Inwardly rectifying K+ channels","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor
 Alpha","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Organic cation/anion/zwitterion transport","Transcriptio
nal Regulation by TP53","ATP sensitive Potassium channels","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","O
rganic cation transport","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of
 NMDARs","Regulation of TP53 Activity through Phosphorylation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026750110,"PHENFORMIN HYDROCHLORIDE",834-28-6,834286,"Phenformin HCl","Phenethylbiguanide hydrochloride",Meltrol,Dipar,Meltrol-50,Meltrol50,"1-Phenethylbiguanide hydrochloride","1Phenethylbiguani
de hydrochloride","Phenformin (hydrochloride)","USAF VI-6","USAF VI6","Imidodicarbonimidic di",S2542,1505983,Prestw-179,"Phenformin hydrochloride"}

> <pdid>
PD009649

> <targets>
{AMPK}

> <classes>
{antidiabetic}

> <pubchem_cids>
{657277,13266}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5917   -6.0086    0.0000 C   0  0
    2.5912   -7.5086    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  3
   -3.8976   -0.7554    0.0000 O   0  5
   -2.5951   -3.0031    0.0000 O   0  0
    1.2941   -3.7521    0.0000 C   0  0
   -0.0063   -4.4998    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
  8 21  1  0
 21 22  3  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13033

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
Entacapone

> <ctcr_id>
3223

> <supplier_cmpd_id>
T2216

> <smiles>
CCN(CC)C(=O)/C(=C/c1cc(O)c(O)c(c1)[N+]([O-])=O)C#N

> <pd_targets>
{COMT,FFP,LSS,LMNA,FTO,KMT2A,MEN1,ABCC3,ABCC4,GPR35,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator",Transporter,"Membrane receptor",Transferase,Isomerase,Oxidoreductase,Reader,"Primary active transporter","Family A G protein-coupled receptor",Br
omodomain,"ATP-binding cassette","Small molecule receptor (family A GPCR)","ABCC subfamily","Carboxylic acid receptor","ABCB subfamily","Kynurenic acid receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Catecholamine turnover","Lanosterol biosynthesis pathway","Chromatin modifying enzymes","ATP-binding cassette transporter family","G protein-coupled receptors","2.1.1.
43 Histone methyltransferases (HMTs)","ABCC subfamily","Orphan and other 7TM receptors","ABCB subfamily","Class A Orphans"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Cell Cycle","DNA Repair","Gene expression (Transcription)",Hemostasis,"Signal Transduction","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"DNA D
amage Reversal","RNA Polymerase II Transcription","Platelet activation","signaling and aggregation","Signaling by GPCR","Neurotransmitter clearance","Metabolism of steroids","M Phase","Reversal of alk
ylation damage by DNA dioxygenases","Generic Transcription Pathway","Response to elevated platelet cytosolic Ca2+","GPCR ligand binding","Dopamine clearance from the synaptic cleft","Regulation of cho
lesterol biosynthesis by SREBP (SREBF)","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Bile acid and bile salt metabolism","Platelet degranulation","Class A/1 (Rhodopsin-like 
receptors)","Enzymatic degradation of dopamine by COMT","Activation of gene expression by SREBF (SREBP)","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platele
t function","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Init
iation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{COMT}

> <broad_moa>
{"catechol O methyltransferase inhibitor"}

> <synonyms>
{RESTW140,ENTACAPONE,130929-57-6,130929576,Comtan,Comtess,Entacaponum,OR-611,OR611,Entacapona,"(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide","(E)2cyano3(3,4dihydroxy5nitrophenyl)N
,Ndiethylacrylamide","(E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide","(E)alphaCyanoN,Ndiethyl3,4dihydroxy5nitrocinnamamide",2-Cyano-N,2CyanoN,N-diethyl-3-(3,Ndiethyl3(3,4-dihydroxy-5-ni
tr,4dihydroxy5nitr,T2216,Prestw-1403,Entacapone}

> <pdid>
PD009994

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281081}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -2.6408    0.8580    0.0000 C   0  0  2  0  0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.0368    0.6589    0.0000 C   0  0  2  0  0  0
   -6.4199    0.0830    0.0000 C   0  0
   -6.6139   -1.4044    0.0000 O   0  0
   -4.6863    2.1174    0.0000 C   0  0  1  0  0  0
   -5.6602    3.2582    0.0000 O   0  0
   -3.1909    2.2347    0.0000 C   0  0  1  0  0  0
   -2.3989    3.5086    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 10 13  1  0
 13 14  1  1
 13 15  1  0
 15  8  1  0
 15 16  1  1
  7 17  1  0
 17  4  2  0
 17 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13034

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
AICAR (Acadesine)

> <ctcr_id>
7173

> <supplier_cmpd_id>
T1477

> <smiles>
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N

> <pd_targets>
{KDM4E,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"AMPK activator"}

> <synonyms>
{ACADESINE,2627-69-2,2627692,AICAR,AICA-riboside,AICAriboside,Arasine,"AICA riboside",AIC-Riboside,AICRiboside,Acadesina,Acadesinum,"AICAR (Acadesine)",Protara,GP-1-110,GP1110,5-Amino-1-beta-D-ribofur
anosylimidazole-4-carboxamide,5Amino1betaDribofuranosylimidazole4carboxamide,UNII-53IEF47846,UNII53IEF47846,C9H14N4O5,5-Amino-1-beta-D-ribofuranosyl,5Amino1betaDribofuranosyl,S1802,Acadesine}

> <pdid>
PD000587

> <targets>
{AMPK}

> <classes>
{}

> <pubchem_cids>
{17513}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 13 12  0  0  0  0            999 V2000
    7.6894   -2.2554    0.0000 Na  0  3
    2.5909   -6.0056    0.0000 O   0  5
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13035

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
Sodium Phenylbutyrate

> <ctcr_id>
3284

> <supplier_cmpd_id>
T1535

> <smiles>
[Na+].[O-]C(=O)CCCc1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PHENYLBUTYRAT,"Sodium 4-phenylbutyrate","Sodium 4phenylbutyrate","SODIUM PHENYLBUTYRATE",1716-12-7,1716127,"sodium 4-phenylbutanoate","sodium 4phenylbutanoate",Buphenyl,TriButyrate,Ammonaps,"Benzeneb
utanoic acid, sodium salt",sodium;4-phenylbutanoate,sodium;4phenylbutanoate,4PBA,"4-Phenylbutyric Acid Sodium Salt","4Phenylbutyric Acid Sodium Salt","4-phenylbutyric aci","4phenylbutyric aci",T1535,S
4125,1300040,"Sodium Phenylbutyrate",4-Phenylbutyrate}

> <pdid>

> <targets>
{HDAC}

> <classes>
{antihyperammonemic,"DNA Damage"}

> <pubchem_cids>
{5258}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 65 68  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1429    9.0124    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  3
 35 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 43  1  0
 48 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 13  1  0
 41 64  1  0
 64 65  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13036

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
Rapamycin

> <ctcr_id>
3116

> <supplier_cmpd_id>
T1537

> <smiles>
COC1CC(CCC1O)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{FKBP1B,MAPT,FFP,FTL,TGR,RORC,FKBP1A,MTOR,NR1I2,FKBP5,EIF4E,ATP2A1,PDCD4,CYP2C9,CYP3A4,SLCO1B1,ABCB1,CYP2C19,FGF2}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Secreted protein",Isomerase,Transferase,"Nuclear receptor",Kinase,"Primary active t
ransporter","Cytochrome P450","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase","P-type ATPase","Cytochrome P450 family 2","Cytochrome P450 family 3","SLC superfami
ly of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group I","Calcium ATPase","Cytochrome
 P450 family 2C","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein k
inase PIKK family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Peptidyl-prolyl cis/trans isomerases","Kinases (EC 2.7.x.x)","P-type ATPases","Cytochrome P450","SLC superfamily of solute carriers","ATP-b
inding cassette transporter family","1F. Retinoic acid-related orphans",Atypical,"1I. Vitamin D receptor-like receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","CYP2 family: drug metabolising s
ubset","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCB subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,"Metabolism of proteins",Hemostasis,"Immune System",Metabolism,"Cardiac conduction","Tran
smission across Chemical Synapses","Membrane Trafficking","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Post-translational prote
in modification",Translation,"Platelet homeostasis","Cytokine Signaling in Immune system","Biological oxidations","Metabolism of lipids","Abacavir transport and metabolism","Ion homeostasis","Neurotra
nsmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer",SUMOylation,"Eukaryoti
c Translation Initiation","Platelet calcium homeostasis","Signaling by Interleukins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism 
of steroids","Abacavir transmembrane transport","Signaling by FGFR in disease","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation 
by RUNX3","Loss of Function of TGFBR1 in Cancer","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by MECP2","Cap-dependent Translation Initi
ation","Reduction of cytosolic Ca++ levels","Interleukin-12 family signaling","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Si
gnaling by FGFR3 in disease","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 Activity","SUMOylation of in
tracellular receptors","MECP2 regulates neuronal receptors and channels","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Interleukin-12 signa
ling",Xenobiotics,"Biosynthesis of maresins","Recycling of bile acids and salts","Signaling by FGFR3 point mutants in cancer","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression a
nd Degradation","Translation initiation complex formation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","
FGFR3 mutant receptor activation","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FKBP1A,MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{(RS)-rapamycin,(RS)rapamycin,"Rapamycin (Sirolimus)",28-epi-Rapamycin,28epiRapamycin,253431-35-5,253431355,SpecPlus_000840,SpecPlus000840,SpecPlus-000840,"SpecPlus 000840",DivK1c_006936,DivK1c006936,
DivK1c-006936,"DivK1c 006936","Rapamycin-d3 (Sirolimus-d3)","Rapamycind3 (Sirolimusd3)",CHEMBL3560003,KBio1_001880,KBio1001880,KBio1-001880,"KBio1 001880",HMS3265I15,HMS3265I16,HMS3265J15,HMS3265J16,3
92711-19-2,392711192,MCULE-7980881185,MCULE7980881185,Q27163,"EMD 553210",S1039,A-275,553210,Rapamycin(Sirolimus),Rapamycin}

> <pdid>
PD003274

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{5040}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 O   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -6.4995    5.2432    0.0000 O   0  0
   -5.2004    2.9933    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13037

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
Resveratrol

> <ctcr_id>
2636

> <supplier_cmpd_id>
T1558

> <smiles>
Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2

> <pd_targets>
{MAOB,APP,CYP1B1,RELA,DPP4,CYP19A1,CA2,CA4,KDM4E,STK33,TYR,POLB,MAL12,MAPT,RORC,ALDH1A1,HPGD,TP53,HTT,GFER,MAOA,NQO2,PTGS2,PTGS1,CA6,CA12,CA7,CA15,SIRT1,TTR,CA3,CA14,LMNA,RAB9A,SMN1,HIF1A,BLM,CYP3A4,H
SD17B10,KMT2A,MEN1,AKR1B1,ADRA1D,VACV_BRZ_SERRO2_026,PPO2,CA5B,CA13,AMPC,GAA,PRKCZ,NPC1,PAK1,PPARG,AHR,CA9,CA5A,CA1,PMP22,KDM1A,PYK,NFKB1,NFKB2,CYP1A1,PIK3CB,TRPA1,MTOR,PIK3CA,NOS2,SLC6A2,CYP2C19,ABCB
1,ODC1,CYP1A2,CYP2C9,ABL1,BCR,MYC,ESR1,TERT,NFE2L2,ALOX5,CBR1,AKT1,YARS1,CYP2D6,LEF,THPO,ALOX15,PKM,USP2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Secreted protein","Other nuclear protein",Transporter,"Ion channel",Oxidored
uctase,"Cytochrome P450",Protease,Lyase,Eraser,Kinase,Hydrolase,"Nuclear receptor",Reader,"Family A G protein-coupled receptor",Transferase,"Voltage-gated ion channel","Electrochemical transporter","P
rimary active transporter",Ligase,"Cytochrome P450 family 1","Serine protease","Cytochrome P450 family 19","Lysine demethylase","Protein Kinase","Nuclear hormone receptor subfamily 1","Histone deacety
lase","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3",Bromodomain,"Small molecule receptor (family A GPCR)","Transient receptor potential channel","SLC superfamily of solute carrie
rs","Cytochrome P450 family 2","ATP-binding cassette","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 1B","Serine protease SC clan","Cytochrome P450 family 19A","Jumonji domain-containi
ng","CAMK protein kinase group","Nuclear hormone receptor subfamily 1 group F","HDAC class III","Tudor domain","Cytochrome P450 family 3A","Monoamine receptor","AGC protein kinase group","STE protein 
kinase group","Nuclear hormone receptor subfamily 1 group C","Lysine-specific demethylase","Cytochrome P450 family 1A","Atypical protein kinase group","SLC06 neurotransmitter transporter family","Cyto
chrome P450 family 2C","ABCB subfamily","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 1B1","Serine protease S9B subfamily","Cytochrome P450 19A1","CAMK protein kinase unique family",
"Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Adrenergic receptor","AGC protein kinase PKC family","STE protein kinase STE20 family","Nuclear hormone receptor subfamil
y 1 group C member 3","Cytochrome P450 1A1","Atypical protein kinase PIKK family","Cytochrome P450 2C19","Cytochrome P450 2C9","Atypical protein kinase BCR family","Nuclear hormone receptor subfamily 
3 group A member 1","AGC protein kinase AKT family","AGC protein kinase PKC iota subfamily","STE protein kinase PAKA subfamily","Atypical protein kinase FRAP subfamily","Metallo protease","Cysteine pr
otease","Cytochrome P450 family 2D","Metallo protease MAE clan","Cysteine protease CA clan","Cytochrome P450 2D6","Metallo protease M34 family","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Catecholamine turnover","Cytochrome P450","Peptidases and proteinases","Carbonic anhydrases","Chromatin modifying enzymes","Kina
ses (EC 2.7.x.x)","1.-.-.- Oxidoreductases","Nuclear hormone receptors","Eicosanoid turnover",Transthyretin,"G protein-coupled receptors","3.2.1.- Glycosidases","SLC superfamily of solute carriers","A
ryl hydrocarbon receptor","Voltage-gated ion channels","L-Arginine turnover","ATP-binding cassette transporter family","Carboxylases and decarboxylases","Transcription factors","CYP1 family","SC: Seri
ne (S) Peptidases",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","1.14.11.- Histone demethylases","CAMK: Calcium/calmodulin-dependent protein kinases","1F. Retinoic acid-related orphans","Prostaglandin
 synthases",Cyclooxygenase,"3.5.1.- Histone deacetylases (HDACs)","CYP3 family",Adrenoceptors,"AGC: Containing PKA",PKG,"PKC families","SLC65 NPC-type cholesterol transporters","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","1C. Peroxisome proliferator-activated receptors","Lipid modifying kinases","Transient Receptor Potential channels",Atypical,"Nitric oxide synthases","SLC
6 neurotransmitter transporter family","CYP2 family: drug metabolising subset","ABCB subfamily",Decarboxylases,"Steroid hormone receptors","Basic leucine zipper domain TFs",Lipoxygenases,"S9: Prolyl o
ligopeptidase","CAMK-unique family","Protein kinase C (PKC) family","STE20 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) famil
y","Monoamine transporter subfamily","3A. Estrogen receptors","Akt (Protein kinase B","PKB) family","Iota subfamily","PAKA subfamily","FRAP subfamily","2.7.1.40 Pyruvate kinases","CA: Cysteine (C) Pep
tidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of proteins","Transport of small molecules","DNA Repair","Neuronal System","Gene expression (Transcription)","Cell Cycle","Protein localization","Signal Transdu
ction","Metabolism of RNA","Cellular responses to external stimuli",Disease,"Developmental Biology","Biological oxidations","Innate Immune System","Peptide hormone metabolism","O2/CO2 exchange in eryt
hrocytes","Metabolism of amino acids and derivatives","Base Excision Repair","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Metabolism of lipids","Cell Cycle Checkpoints","
Mitochondrial protein import","Reversible hydration of carbon dioxide","Signaling by GPCR",Mitotic,"Signaling by Rho GTPases","Metabolism of non-coding RNA","Cellular responses to stress","DNA Double-
Strand Break Repair","Diseases of metabolism","Signaling by Nuclear Receptors","Plasma lipoprotein assembly",remodeling,"and clearance","Nervous system development","Cytokine Signaling in Immune syste
m","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Ion channel transport","Diseases of signal transduction by growth factor receptors and second messengers","I
nfectious disease","Disorders of transmembrane transporters","Abacavir transport and metabolism","Chromosome Maintenance",Translation,"Phase I - Functionalization of compounds","Toll-like Receptor Cas
cades","Incretin synthesis",secretion,"and inactivation","Erythrocytes take up carbon dioxide and release oxygen","Melanin biosynthesis","Resolution of Abasic Sites (AP sites)","Neurotransmitter recep
tors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","Fatty acid metabolism","GPCR downs
tream signalling","M Phase","Rho GTPase cycle","snRNP Assembly","Cellular response to hypoxia","Homology Directed Repair","Branched-chain amino acid catabolism","Metabolism of steroids","GPCR ligand b
inding","Diseases of carbohydrate metabolism","ESR-mediated signaling","Plasma lipoprotein clearance","Axon guidance","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell my
elination","PIP3 activates AKT signaling","Signaling by Insulin receptor","Stimuli-sensing channels","Signaling by FGFR in disease","Infection with Mycobacterium tuberculosis","SLC transporter disorde
rs","Abacavir transmembrane transport","Metabolism of polyamines","Mitotic G1 phase and G1/S transition","Telomere Maintenance","tRNA Aminoacylation","Amine Oxidase reactions","Toll Like Receptor 5 (T
LR5) Cascade","Cytochrome P450 - arranged by substrate type",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Resolution of AP sites via the multiple-nucleotide patch replacement pathw
ay","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Tran
scriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","FOXO-mediated transcription","G alpha (i) signalling events","Mitotic Metaphase and Anaphase","RHOBTB
 GTPase Cycle","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Metabolism of steroid hormones"
,"Class A/1 (Rhodopsin-like receptors)","Glycogen storage diseases","Extra-nuclear estrogen signaling","LDL clearance","EPH-Ephrin signaling","Regulation of gene expression by Hypoxia-inducible Factor
","Interleukin-12 family signaling","PTEN Regulation","Insulin receptor signalling cascade","TRP channels","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Response of Mtb to phag
ocytosis","Defective SLC6A2 causes orthostatic intolerance (OI)","Regulation of ornithine decarboxylase (ODC)","G0 and Early G1","Transcriptional regulation by RUNX1","Extension of Telomeres","Cytosol
ic tRNA aminoacylation","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MyD88 cascade initiated on plasma membrane","Endogenous sterols","PCNA-Dependent Long Patch Base Exc
ision Repair","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Regulation of MEC
P2 expression and activity","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Regulation of FOXO transcriptional activity by acetylation","Visual phototransductio
n","Mitotic Anaphase","RHOBTB3 ATPase cycle","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Pregnenolone biosynthesis","Amine ligand-binding receptors","Glycogen storage dise
ase type II (GAA)","Estrogen-stimulated signaling through PRKCZ","EPHB-mediated forward signaling","MECP2 regulates transcription factors","Interleukin-12 signaling","Regulation of PTEN gene transcrip
tion",Xenobiotics,"IRS-mediated signalling","Regulation of TP53 Activity","FGFR1 mutant receptor activation","Suppression of phagosomal maturation","Transcription of E2F targets under negative control
 by DREAM complex","RUNX1 regulates estrogen receptor mediated transcription","Telomere Extension By Telomerase","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Activation of 
AMPK downstream of NMDARs","Stabilization of p53","The canonical retinoid cycle in rods (twilight vision)","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Biosynthesis
 of maresin-like SPMs",Adrenoceptors,"Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Regulation of TP53 Expression and Degradation","Signaling by c
ytosolic FGFR1 fusion mutants","Inhibition of nitric oxide production","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived 13-series r
esolvins","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degr
adation",Hemostasis,"Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Glucose metabolism
","Uptake and function of anthrax toxins",Glycolysis,"Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{CSNK2A1,NQO2,PTGS1,PTGS2}

> <broad_moa>
{"cytochrome P450 inhibitor","SIRT activator"}

> <synonyms>
{resveratrol,501-36-0,501360,trans-resveratrol,transresveratrol,"3,4',5-Trihydroxystilbene","3,4',5Trihydroxystilbene","(E)-5-(4-Hydroxystyryl)benzene-1,3-diol","(E)5(4Hydroxystyryl)benzene1,3diol","3
,5,4'-Trihydroxystilbene","3,5,4'Trihydroxystilbene",(E)-resveratrol,(E)resveratrol,"3,4',5-Stilbenetriol","3,4',5Stilbenetriol","5-((E)-2-(4-hydroxyphenyl)ethenyl)benzene-1,3-diol","5((E)2(4hydroxyph
enyl)ethenyl)benzene1,3diol",Resvida,3,4',T1558,SAM001246888,1502223,Resveratrol,CPD000058206,RESVERATROL}

> <pdid>
PD001353

> <targets>
{Antibiotic,Apoptosis,Autophagy,Bacterial,Fungal,IKK,Keap1-Nrf2,Mitophagy,Sirtuin}

> <classes>
{antifungal,antibacterial,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics,NF-ºB}

> <pubchem_cids>
{445154}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 37  0  0  1  0            999 V2000
    2.5923    1.5001    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7980   -1.4850    0.0000 C   0  0
    9.0957   -0.7328    0.0000 O   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1018   -3.7344    0.0000 C   0  0
   10.4019   -4.4826    0.0000 N   0  0
   14.2026   -0.7458    0.0000 O   0  0
   14.2026   -2.2458    0.0000 C   0  0
   12.9033   -2.9954    0.0000 O   0  0
   15.5026   -2.9958    0.0000 C   0  0
   16.8026   -2.2458    0.0000 C   0  0
   18.1011   -2.9966    0.0000 O   0  0
   16.8040   -0.7450    0.0000 C   0  0
   18.1040    0.0050    0.0000 C   0  0
   19.4026   -0.7458    0.0000 O   0  0
   18.1054    1.5050    0.0000 O   0  0
   16.8038   -3.7758    0.0000 C   0  0
   15.5051   -4.5264    0.0000 O   0  0
   18.1029   -4.5256    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  6
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 10  1  0
 18 14  2  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  3  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 28 34  1  0
 34 35  1  0
 34 36  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13038

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
Tofacitinib Citrate

> <ctcr_id>
7436

> <supplier_cmpd_id>
T2398

> <smiles>
C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Tofacitinib citrate",540737-29-9,540737299,"Tasocitinib citrate",Xeljanz,"Tofacitinib (citrate)","Tofacitinib (CP-690550) Citrate","Tofacitinib (CP690550) Citrate","CP-690550 citrate","CP690550 citr
ate",UNII-O1FF4DIV0D,UNIIO1FF4DIV0D,"540737-29-9 (citrate)","540737299 (citrate)","CP 690550 citrate",O1FF4DIV0D,"CP-690,550-10","CP690,55010",CHEBI:71197,CP-69055,CP69055,T2398,S5001,"Tofacitinib Cit
rate"}

> <pdid>

> <targets>
{JAK,Apoptosis,Bacterial,Fungal,Influenza Virus}

> <classes>
{Anti-infection,Apoptosis,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{10174505}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
   -3.1981   -2.5320    0.0000 C   0  0
   -4.6859   -2.7233    0.0000 C   0  0
   -5.5950   -1.5302    0.0000 C   0  0
   -5.2654   -4.1077    0.0000 N   0  0
   -6.7537   -4.3007    0.0000 C   0  0
   -7.6658   -3.1088    0.0000 C   0  0
   -9.1542   -3.3018    0.0000 C   0  0
  -10.0662   -2.1100    0.0000 N   0  0
  -11.5546   -2.3030    0.0000 C   0  0
  -12.1309   -3.6878    0.0000 O   0  0
  -12.4667   -1.1111    0.0000 N   0  0
  -13.9551   -1.3041    0.0000 C   0  0
  -14.8684   -0.1141    0.0000 C   0  0
  -16.3555   -0.3101    0.0000 C   0  0
  -16.9294   -1.6959    0.0000 C   0  0
  -16.0162   -2.8859    0.0000 C   0  0
  -14.5290   -2.6900    0.0000 C   0  0
  -18.4174   -1.8920    0.0000 C   0  0
  -19.3314   -0.7026    0.0000 C   0  0
  -18.9909   -3.2780    0.0000 C   0  0
  -19.9045   -2.0886    0.0000 C   0  0
   -4.3533   -5.2996    0.0000 C   0  0
   -2.8675   -5.1069    0.0000 C   0  0  1  0  0  0
   -2.1519   -3.7886    0.0000 O   0  0
   -0.6928   -4.0817    0.0000 C   0  0  2  0  0  0
   -0.4810   -5.5489    0.0000 C   0  0  2  0  0  0
    0.8417   -6.2564    0.0000 O   0  0
   -1.8348   -6.1949    0.0000 C   0  0  2  0  0  0
   -2.1080   -7.6698    0.0000 O   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
  4 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 28 23  1  0
 28 29  1  6
 25 30  1  1
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 30  1  0
 40 34  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13039

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
SGC0946

> <ctcr_id>
7350

> <supplier_cmpd_id>
T3082

> <smiles>
CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cc(Br)c4c(N)ncnc34

> <pd_targets>
{DNMT1,DOT1L}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"DNA methyltransferase","Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"2.1.1.- Methyltransferases","Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Metabolism of proteins","Chromatin organization","Post-translational protein modification","Chromatin modifying enzymes",SUMOylation,"PKMTs methylate histone lysines","SUMO E3 ligases SUMOylate targ
et proteins","SUMOylation of DNA methylation proteins"}

> <broad_targets>
{}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{SGC0946,1561178-17-3,1561178173,"SGC 0946",SGC-0946,CHEMBL3087498,C28H40BrN7O4,MLS006011035,GTPL7020,SCHEMBL17433345,AOB3554,EX-A321,EXA321,AMY14749,2714AH,BDBM50443016,MFCD26523136,s7079,ZINC9795666
4,AKOS024458211,CCG-270251,CCG270251,CS-3531,CS3531,NCGC00344622-01,NCGC0034462201,NCGC00344622-10,NCGC0034462210,A,S7079}

> <pdid>
PD000006

> <targets>
{"Histone Methyltransferase"}

> <classes>
{}

> <pubchem_cids>
{56962337}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 29  0  0  1  0            999 V2000
   -1.3047   -9.7581    0.0000 C   0  0
   -1.3042   -8.2581    0.0000 C   0  0
   -2.6033   -7.5081    0.0000 C   0  0
   -0.0047   -7.5072    0.0000 C   0  0
   -0.0043   -6.0064    0.0000 C   0  0  2  0  0  0
    1.2952   -5.2556    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
   -0.0034   -3.0048    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8935   -3.7569    0.0000 N   0  0
    3.8914   -5.2577    0.0000 C   0  0
    2.5911   -6.0055    0.0000 O   0  0
    5.1896   -6.0107    0.0000 C   0  0
    5.1898   -7.5108    0.0000 C   0  0
    6.4888   -8.2607    0.0000 N   0  0
    7.7878   -7.5107    0.0000 C   0  0
    7.7878   -6.0107    0.0000 C   0  0
    6.4888   -5.2607    0.0000 N   0  0
   -1.3025   -5.2533    0.0000 B   0  0
   -1.3004   -3.7533    0.0000 O   0  0
   -2.6029   -6.0011    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13040

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
Bortezomib

> <ctcr_id>
2910

> <supplier_cmpd_id>
T2399

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O

> <pd_targets>
{ELANE,CTSG,CMA1,PSMB8,PSMB1,ADRM1,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB9,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,PSMD11,PSMD12,PSMD1
3,PSMD14,PSMD2,PSMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1,CTSA,CA7,MTCA1,CA5A,CA1,CA3,CA5B,CA14,CA2,CA12,F2,CA4,CTRB1,CA9,CA13,CA6,CA15,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,Lyase,Hydrolase,"Serine protease","Threonine protease","Metallo protease","Serine protease PA clan","Threonine protease PBT clan","Metallo protease MP clan",
"Serine protease SC clan","Serine protease S1A subfamily","Threonine protease T1A subfamily","Metallo protease M67 family","Serine protease S10 family","Threonine protease T1B subfamily","Metallo prot
ease M67A subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Peptidases and proteinases","Carbonic anhydrases","Anti-infective targets","PA: Serine (S) Peptidases","PB: Threonine (T) Peptidases","SC: Serine (S) Peptidases","Ant
imalarial targets","S1: Chymotrypsin","T1: Proteasome","S10: Carboxypeptidase Y","Other antimalarial targets"}

> <pathway_reactome>
{"Immune System",Disease,"Extracellular matrix organization","Cell Cycle","Metabolism of proteins",Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Innate Immune Sys
tem","Infectious disease","Degradation of the extracellular matrix",Mitotic,"Post-translational protein modification","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","O2
/CO2 exchange in erythrocytes","Diseases of hemostasis","Metabolism of vitamins and cofactors","Cellular responses to stress","Complement cascade","Infection with Mycobacterium tuberculosis","Activati
on of Matrix Metalloproteinases","Regulation of mitotic cell cycle","Asparagine N-linked glycosylation","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Defects of
 contact activation system (CAS) and kallikrein/kinin system (KKS)","Metabolism of water-soluble vitamins and cofactors","Cellular response to hypoxia","Regulation of Complement cascade","Response of 
Mtb to phagocytosis","APC/C-mediated degradation of cell cycle proteins","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Inter
leukin-12 family signaling","Defective factor VIII causes hemophilia A","Cobalamin (Cbl","vitamin B12) transport and metabolism","Regulation of gene expression by Hypoxia-inducible Factor","Suppressio
n of apoptosis","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of substrates in N-glycan biosythesis","Interleukin-12 signaling","Defective F8 cleavage by th
rombin","APC/C:Cdc20 mediated degradation of mitotic proteins","Sialic acid metabolism","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","APC:Cdc20 mediated degrada
tion of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB1,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB8,PSMB9,PSMD1,PSMD2,RELA}

> <broad_moa>
{"NFkB pathway inhibitor","proteasome inhibitor"}

> <synonyms>
{Bortezomib,179324-69-7,179324697,Velcade,PS-341,PS341,LDP-341,LDP341,"Bortezomib (PS-341)","Bortezomib (PS341)","Ps 341",UNII-69G8BD63PP,UNII69G8BD63PP,"Bortezomib (Velcade)",MLN-341,MLN341,MG-341,MG
341,NSC-681239,NSC681239,69G8BD63PP,CHEMBL325041,"Peptide boronate",CHEBI:52717,MFCD09056737,NCGC00242506-02,NCGC0024250602,S1013,DS,T2399,10008822,681239,"NSC 681239",bortezomib,BORTEZOMIB}

> <pdid>
PD003632

> <targets>
{Proteasome Inhibitors,Apoptosis,Autophagy,NF-ºB,Proteasome}

> <classes>
{Proteasome inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{387447}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 C   0  0
    0.7390    8.7116    0.0000 C   0  0
   -0.7610    8.7069    0.0000 C   0  0
    0.9508   -6.4988    0.0000 C   0  0
    1.3101   -7.9371    0.0000 N   0  0
    0.0286   -8.7167    0.0000 C   0  0
   -1.1089   -7.7388    0.0000 N   0  0
   -0.5304   -6.3549    0.0000 O   0  0
   -0.0940  -10.2124    0.0000 C   0  0
    1.0684  -11.1526    0.0000 C   0  0
    0.8337  -12.6341    0.0000 C   0  0
   -0.5667  -13.1716    0.0000 C   0  0
   -1.7324  -12.2276    0.0000 C   0  0
   -1.4977  -10.7461    0.0000 C   0  0
   -0.8045  -14.6535    0.0000 O   0  0
   -2.2064  -15.1893    0.0000 C   0  0
   -2.4442  -16.6704    0.0000 F   0  0
   -3.3705  -14.2433    0.0000 F   0  0
   -3.6078  -15.7242    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 20  1  0
  4 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  1  0
 25 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13041

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
BAY 87-2243

> <ctcr_id>
11404

> <supplier_cmpd_id>
T2488

> <smiles>
Cc1cc(nn1Cc1cc(ncc1)N1CCN(CC1)C1CC1)c1nc(no1)c1ccc(cc1)OC(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HIF1A}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{"AY 87224",C26H26F3N7O2,"BAY 87-2243","BAY 872243",1227158-85-1,1227158851,BAY87-2243,BAY872243,bay-87-2243,bay872243,SCHEMBL2359661,CHEMBL4303384,AOB5910,BCP09519,EX-A2031,EXA2031,2255AH,NSC781016,N
SC795507,s7309,ZINC68206550,AKOS026750511,CCG-269886,CCG269886,NSC-781016,NSC-795507,NCGC00378636-03,NCGC0037863603,AK547118,BS-15,BS15,T2488}

> <pdid>
PD063208

> <targets>
{HIF-1¦Á,Ferroptosis,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{67377767}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13042

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
Vorinostat

> <ctcr_id>
1952

> <supplier_cmpd_id>
T1583

> <smiles>
ONC(=O)CCCCCCC(=O)Nc1ccccc1

> <pd_targets>
{GLI1,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,BRD4,HDA106,NCOR2,NCOR1,HDAH,LTA4H,KDM4E,NR0B1,NR1I2,HD1B,RCOR3,CYP3A4,CFTR,PAX8}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Ion channel","Unclassified protein",Eraser,Reader,Hydrolase,Protease,"Nuclear receptor","Cytochrome P450","Other ion channel","Histone deacetylas
e",Bromodomain,"Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Chloride channel","HDAC class I","HDAC 
class IV","HDAC class IIb","HDAC class IIa","Metallo protease MAE clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group I","Cytoc
hrome P450 family 3A","Cystic fibrosis transmembrane conductance regulator","Metallo protease M1 family","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 g
roup I member 2","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets","Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","Other ion channels","Anti-infective 
targets","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","MA: Metallo (M) Peptidases","1.14.11.- Histone demethylases","0B. DAX-like receptors","1I. Vitamin D recept
or-like receptors","CYP3 family","Chloride channels","Antimalarial targets","Bromodomain kinase (BRDK) family","M1: Aminopeptidase N",CFTR,"Histone deacetylases (HDACs) (<i>Plasmodium</i> spp.)"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,Metabolism,"Metabolism of proteins",Autophagy,"Signaling by Hedgehog","RNA Polymerase II Transcription",Mitotic,"Disorders
 of Developmental Biology","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Post-translational protein modification",Macr
oautophagy,"Hedgehog 'off' state","Generic Transcription Pathway","M Phase","Disorders of Nervous System Development","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized
 proresolving mediators (SPMs)",SUMOylation,"Selective autophagy","Degradation of GLI1 by the proteasome","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Pervasive developmental
 disorders","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Nuclear Receptor transcri
ption pathway","SUMO E3 ligases SUMOylate target proteins",Aggrephagy,"Regulation of TP53 Activity","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","Constitutive Signaling by NOTCH1 HD
+PEST Domain Mutants","RUNX2 regulates bone development","Biosynthesis of aspirin-triggered D-series resolvins","SUMOylation of intracellular receptors","Biosynthesis of maresins","Regulation of TP53 
Activity through Acetylation","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differen
tiation","RUNX2 regulates chondrocyte maturation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC5,HDAC6,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Vorinostat,149647-78-9,149647789,SAHA,"suberoylanilide hydroxamic acid",Zolinza,N-hydroxy-N'-phenyloctanediamide,NhydroxyN'phenyloctanediamide,"Suberanilohydroxamic acid",N1-hydroxy-N8-phenyloctanedi
amide,N1hydroxyN8phenyloctanediamide,MK-0683,MK0683,"Vorinostat (SAHA, MK0683)","Octanediamide, N-hydroxy-N'-phenyl-","Octanediamide, NhydroxyN'phenyl",N,T1583,701852,10009929,S1047,Prestw-1362,"NSC 7
01852",vorinostat,VORINOSTAT,"SAHA, Zolinza, Vorinostat"}

> <pdid>
PD001323

> <targets>
{HDAC Inhibitors,Autophagy,HDAC,Apoptosis,Filovirus,Mitophagy}

> <classes>
{Epigenetics,HDAC inhibitor,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5311}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11  9  0  0  0  0            999 V2000
   10.2999    1.5017    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 C   0  0
    3.9031    2.2508    0.0000 C   0  0
    2.6053    3.0031    0.0000 O   0  5
    5.2032    2.9990    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   1   1  10  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13043

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
Valproic acid sodium salt

> <ctcr_id>
3725

> <supplier_cmpd_id>
T1602

> <smiles>
[Na+].CCCC(CCC)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium valproate","Sodium 2-propylpentanoate","Sodium 2propylpentanoate",1069-66-5,1069665,"Valproate sodium","Valproic acid sodium salt","Valproic acid sodium",Epilim,"Valproic Acid (sodium salt)",
"Pentanoic acid, 2-propyl-, sodium salt","Pentanoic acid, 2propyl, sodium salt","Sodium 2-propylvalerate","Sodium 2propylvalerate",2-Pr,2Pr,T1602,1500606,"VALPROATE SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{anticonvulsant}

> <pubchem_cids>
{16760703}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    6.3990   -1.1250    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 N   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  4  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13044

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Hydralazine hydrochloride

> <ctcr_id>
944

> <supplier_cmpd_id>
T1613

> <smiles>
Cl.N\N=C\1/N=NC=C2C=CC=CC12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHEMBL1200677,AKOS006238834,"1-Hydrazinophthalazine Hydrochloride, 98","1Hydrazinophthalazine Hydrochloride, 98","1 Hydrazinophthalazine Hydrochloride, 98","1-Hydrazono-1,8a-dihydrophthalazine hydroc
hloride","1Hydrazono1,8adihydrophthalazine hydrochloride","1 Hydrazono 1,8a dihydrophthalazine hydrochloride",1218900-67-4,1218900674,"1218900 67 4",Prestw-169,"Hydralazine hydrochloride"}

> <pdid>
PD013231

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{45052524}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   11.3033   -1.5000    0.0000 C   0  0
   10.0042   -0.7500    0.0000 N   0  0
   10.0042    0.7500    0.0000 C   0  0
   11.3033    1.5000    0.0000 O   0  0
    8.7052    1.5000    0.0000 N   0  0
    8.7052    3.0000    0.0000 C   0  0
    7.4061    0.7500    0.0000 C   0  0
    5.9804    1.2135    0.0000 N   0  0
    5.0987    0.0000    0.0000 C   0  0
    5.9804   -1.2135    0.0000 N   0  0
    7.4062   -0.7500    0.0000 C   0  0
    8.7052   -1.5000    0.0000 C   0  0
    8.7052   -3.0000    0.0000 O   0  0
   13.8046   -0.3746    0.0000 N   0  0
   15.1039    0.3750    0.0000 C   0  0
   16.4039   -0.3750    0.0000 C   0  0
   17.7032    0.3746    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  7  2  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 20  2  0
 24 25  1  0
 25 15  1  0
 25 26  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13045

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
Aminophylline

> <ctcr_id>
4712

> <supplier_cmpd_id>
T1681

> <smiles>
CN1C(=O)N(C)c2nc[nH]c2C1=O.CN3C(=O)N(C)c4nc[nH]c4C3=O.NCCN

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADORA3,HDAC2,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A}

> <broad_moa>
{"adenosine receptor antagonist"}

> <synonyms>
{RESTW82,aminophylline,317-34-0,317340,Aminophyllin,Phyllocontin,Theophyllamine,Aminodur,Cardophyllin,Somophyllin,Truphylline,"Theophylline ethylenediamine",Aminocardol,Cardiofilina,Cardophylin,Diaphy
lline,Diuxanthine,Ethophylline,Eurphyllin,Genophyllin,Inophy,T1681,Prestw-820,Aminophylline}

> <pdid>
PD001734

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9433}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

115118  0  0  1  0            999 V2000
  -22.5125    1.8822    0.0000 C   0  0
  -21.7630    0.5829    0.0000 C   0  0
  -20.2622    0.5814    0.0000 C   0  0
  -19.5123   -0.7187    0.0000 C   0  0
  -18.0114   -0.7202    0.0000 C   0  0
  -17.2615   -2.0202    0.0000 C   0  0
  -15.7607   -2.0217    0.0000 C   0  0
  -15.0108   -3.3218    0.0000 C   0  0
  -13.5099   -3.3233    0.0000 C   0  0
  -12.7600   -4.6233    0.0000 C   0  0
  -13.2606   -5.4890    0.0000 O   0  0
  -11.2592   -4.6248    0.0000 N   0  0
  -10.5093   -5.9249    0.0000 C   0  0  1  0  0  0
  -11.2633   -7.2226    0.0000 C   0  0
  -12.7641   -7.2194    0.0000 C   0  0
  -13.6191   -6.0024    0.0000 C   0  0
  -15.0475   -6.4602    0.0000 N   0  0
  -15.0532   -7.9594    0.0000 C   0  0
  -16.1720   -8.9586    0.0000 C   0  0
  -15.8660  -10.4271    0.0000 C   0  0
  -14.4413  -10.8964    0.0000 C   0  0
  -13.3225   -9.8971    0.0000 C   0  0
  -13.6285   -8.4287    0.0000 C   0  0
   -9.0085   -5.9281    0.0000 C   0  0
   -8.5106   -6.7953    0.0000 O   0  0
   -8.2545   -4.6304    0.0000 N   0  0
   -6.7536   -4.6336    0.0000 C   0  0  2  0  0  0
   -6.0091   -5.9367    0.0000 C   0  0
   -6.7645   -7.2335    0.0000 C   0  0
   -6.0203   -8.5359    0.0000 O   0  0
   -7.7645   -7.2293    0.0000 N   0  0
   -5.9997   -3.3359    0.0000 C   0  0
   -6.4976   -2.4686    0.0000 O   0  0
   -4.4988   -3.3391    0.0000 N   0  0
   -3.7449   -2.0414    0.0000 C   0  0  1  0  0  0
   -4.4948   -0.7413    0.0000 C   0  0
   -5.9956   -0.7398    0.0000 C   0  0
   -6.7451    0.5595    0.0000 O   0  0
   -6.4962   -1.6055    0.0000 O   0  0
   -2.2440   -2.0445    0.0000 C   0  0
   -1.4972   -3.3454    0.0000 O   0  0
   -1.4900   -0.7469    0.0000 N   0  0
    0.0000   -0.7500    0.0000 C   0  0  1  0  0  0
    1.3000   -2.2500    0.0000 C   0  0  1  0  0  0
    2.7054   -1.7257    0.0000 C   0  0
    1.3000   -3.7500    0.0000 O   0  0
    2.6000   -4.5000    0.0000 C   0  0
    3.8989   -3.7498    0.0000 O   0  0
    2.6000   -6.0000    0.0000 C   0  0  2  0  0  0
    1.2987   -6.7478    0.0000 C   0  0
    0.0000   -5.9955    0.0000 C   0  0
    0.0026   -4.4955    0.0000 O   0  0
   -1.3013   -6.7432    0.0000 C   0  0
   -1.3014   -8.2433    0.0000 C   0  0
   -2.6004   -8.9933    0.0000 C   0  0
   -3.8994   -8.2433    0.0000 C   0  0
   -3.8994   -6.7433    0.0000 C   0  0
   -2.6004   -5.9933    0.0000 C   0  0
   -2.6004   -4.4933    0.0000 N   0  0
    3.9000   -6.7500    0.0000 N   0  0
    5.2000   -6.0000    0.0000 C   0  0
    5.2000   -4.5000    0.0000 O   0  0
    6.5000   -6.7500    0.0000 C   0  0  1  0  0  0
    7.8000   -6.0000    0.0000 N   0  0
    9.1000   -6.7500    0.0000 C   0  0
    9.1000   -8.2500    0.0000 O   0  0
   10.4000   -6.0000    0.0000 C   0  0  1  0  0  0
   11.6982   -6.7531    0.0000 C   0  0
   11.6961   -8.2531    0.0000 O   0  0
   10.4000   -4.5000    0.0000 N   0  0
   11.7000   -3.7500    0.0000 C   0  0
   12.9989   -4.5002    0.0000 O   0  0
   11.7000   -2.2500    0.0000 C   0  0
   13.0000   -1.5000    0.0000 N   0  0
   13.0000    0.0000    0.0000 C   0  0
   14.2989    0.7502    0.0000 O   0  0
   11.7000    0.7500    0.0000 C   0  0  2  0  0  0
   10.4018   -0.0031    0.0000 C   0  0
    9.1000    0.7438    0.0000 C   0  0
    7.8025   -0.0089    0.0000 O   0  0
    9.0976    1.7438    0.0000 O   0  0
   11.7000    2.2500    0.0000 N   0  0
   10.4000    3.0000    0.0000 C   0  0
    9.1011    2.2498    0.0000 O   0  0
   10.4000    4.5000    0.0000 C   0  0  1  0  0  0
   11.6989    5.2502    0.0000 C   0  0
    9.1000    5.2500    0.0000 N   0  0
    9.1000    6.7500    0.0000 C   0  0
   10.3989    7.5002    0.0000 O   0  0
    7.8000    7.5000    0.0000 C   0  0  2  0  0  0
    7.8031    9.0008    0.0000 C   0  0
    9.1039    9.7494    0.0000 C   0  0
    9.1070   11.2494    0.0000 O   0  0
   10.4016    8.9971    0.0000 O   0  0
    6.5000    6.7500    0.0000 N   0  0
    5.2000    7.5000    0.0000 C   0  0
    5.2000    9.0000    0.0000 O   0  0
    3.9000    6.7500    0.0000 C   0  0  2  0  0  0
    2.6018    7.5031    0.0000 C   0  0
    2.6039    9.0039    0.0000 C   0  0
    1.3057    9.7570    0.0000 C   0  0
    1.3079   11.2570    0.0000 N   0  0
    3.9000    5.2500    0.0000 N   0  0
    2.6000    4.5000    0.0000 C   0  0
    1.3011    5.2502    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.7054    0.2257    0.0000 O   0  0
    6.4980   -8.2508    0.0000 C   0  0  1  0  0  0
    5.1977   -8.9987    0.0000 C   0  0
    7.7962   -9.0038    0.0000 C   0  0
    7.7942  -10.5046    0.0000 C   0  0
    9.0918  -11.2572    0.0000 O   0  0
    6.4939  -11.2525    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 15  1  0
 23 18  1  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 27 26  1  1
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 27 32  1  0
 32 33  2  0
 32 34  1  0
 35 34  1  1
 35 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 40 42  1  0
 43 42  1  6
 43 44  1  0
 44 45  1  1
 44 46  1  0
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  1
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 53  1  0
 58 59  1  0
 49 60  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 64  1  1
 64 65  1  0
 65 66  2  0
 65 67  1  0
 67 68  1  6
 68 69  1  0
 67 70  1  0
 70 71  1  0
 71 72  2  0
 71 73  1  0
 73 74  1  0
 74 75  1  0
 75 76  2  0
 75 77  1  0
 77 78  1  6
 78 79  1  0
 79 80  2  0
 79 81  1  0
 77 82  1  0
 82 83  1  0
 83 84  2  0
 83 85  1  0
 85 86  1  6
 85 87  1  0
 87 88  1  0
 88 89  2  0
 88 90  1  0
 90 91  1  1
 91 92  1  0
 92 93  2  0
 92 94  1  0
 90 95  1  0
 95 96  1  0
 96 97  2  0
 96 98  1  0
 98 99  1  1
 99100  1  0
100101  1  0
101102  1  0
 98103  1  0
103104  1  0
104105  2  0
104106  1  0
106107  1  0
107108  1  0
108 43  1  0
108109  2  0
 63110  1  0
110111  1  6
110112  1  0
112113  1  0
113114  2  0
113115  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13046

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
Daptomycin

> <ctcr_id>
7126

> <supplier_cmpd_id>
T1665

> <smiles>
CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C
)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@@H](C)CC(=O)O

> <pd_targets>
{ABCC2}

> <pathway_gtopdb>
{Transporter,"Primary active transporter","ATP-binding cassette","ABCC subfamily"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCC subfamily"}

> <pathway_reactome>
{Disease,"Disorders of transmembrane transporters","ABC transporter disorders","Defective ABCC2 causes DJS"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{DAPTOMYCIN,103060-53-3,103060533,LY146032,"LY 146032",s1373,AKOS024457871,CCG-270691,CCG270691,NCGC00346517-01,NCGC0034651701,NCGC00346517-04,NCGC0034651704,NCGC00346517-07,NCGC0034651707,AB01274779-
01,AB0127477901,AB01274779_02,AB0127477902,AB01274779-02,"AB01274779 02",S1373,Daptomycin}

> <pdid>
PD012318

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{46930993}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 40  0  0  0  0            999 V2000
    3.1476   -0.7184    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    3.7186    4.2647    0.0000 C   0  0
    3.6065    5.7605    0.0000 C   0  0
    2.2550    6.4113    0.0000 C   0  0
    1.0157    5.5663    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5242    2.0130    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -3.1476   -0.7184    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -3.0000   -2.8580    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 N   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5031   -5.4549    0.0000 N   0  0
    3.0039   -5.4528    0.0000 C   0  0
    3.8680   -6.6633    0.0000 C   0  0
    5.2929   -6.1948    0.0000 N   0  0
    5.2877   -4.6948    0.0000 N   0  0
    3.8595   -4.2363    0.0000 C   0  0
    6.5101   -7.0727    0.0000 C   0  0
    6.4705   -8.5672    0.0000 C   0  0
    7.7497   -9.3506    0.0000 C   0  0
    9.0677   -8.6345    0.0000 N   0  0
    9.1066   -7.1350    0.0000 C   0  0
    7.8274   -6.3516    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 23  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 21 34  1  0
 34 35  2  0
 35  2  1  0
 35 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13047

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
HTH-01-015

> <ctcr_id>
13613

> <supplier_cmpd_id>
T2374

> <smiles>
Cn1c2cc3ccccc3cc2c(=O)n(C)c2c(C)nc(Nc3cn(nc3)C3CCNCC3)nc12

> <pd_targets>
{NUAK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase NuaK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","NuaK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Phosphorylation"}

> <broad_targets>
{NUAK1}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{TH0101,HTH-01-015,HTH01015,1613724-42-7,1613724427,"HTH 01 015",GTPL8977,CHEMBL4303250,SCHEMBL16065674,BCP14400,EX-A1038,EXA1038,HTH01-015,s7318,AKOS026750455,ZINC214463354,CCG-269434,CCG269434,CS-33
44,CS3344,"HTH 01-015","HTH 01015",NCGC00389591-02,NCGC0038959102,NCGC00389591-08,NCGC0038959108,AC-32959,AC32959,AK316255,AS-75146,AS75146,DA-43721,DA43721,HY-123,HY123,T2374}

> <pdid>
PD012986

> <targets>
{NUAK,NUAK1,NUAK2,AMPK}

> <classes>
{PI3K/Akt/mTOR signaling,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{78357766}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    2.7740    3.3412    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 N   0  0
    3.1796   -0.5190    0.0000 O   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -2.4793    3.4197    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -3.7193    4.2650    0.0000 C   0  0
   -5.1141    3.7490    0.0000 C   0  0
   -6.0298    4.9370    0.0000 N   0  0
   -5.1829    6.1750    0.0000 N   0  0
   -3.7437    5.7521    0.0000 C   0  0
   -7.5292    4.8945    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.3993   -2.9127    0.0000 C   0  0
    0.5521   -4.1515    0.0000 C   0  0
    1.2002   -5.5043    0.0000 O   0  0
   -0.9435   -4.0368    0.0000 N   0  0
   -3.1484   -0.7186    0.0000 C   0  0
   -4.1145    0.4339    0.0000 C   0  0
   -5.5920    0.1754    0.0000 C   0  0
   -6.1069   -1.2335    0.0000 C   0  0
   -5.1442   -2.3838    0.0000 C   0  0
   -3.6667   -2.1253    0.0000 C   0  0
   -7.5844   -1.4921    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  2  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  7  1  0
 10 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 13  1  0
 15 18  1  0
  8 19  1  0
 19 20  2  3
 20 21  1  0
 21  5  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 19 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
 29 32  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13048

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
BET bromodomain inhibitor

> <ctcr_id>
11945

> <supplier_cmpd_id>
T2072

> <smiles>
CC1=NOC2=C1C3=C(C=C(C=C3)C4=CN(N=C4)C)C(=NC2CC(=O)N)C5=CC=C(C=C5)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SCHEMBL16749350,BCP30005,"MDK 3597;MDK-3597;BET bromodomain inhibitor","MDK 3597;MDK3597;BET bromodomain inhibitor",T2072,"BET bromodomain inhibitor"}

> <pdid>
PD063667

> <targets>
{BET bromodomain,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{118102748}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 37  0  0  0  0            999 V2000
    8.8990    6.3701    0.0000 Na  0  3
    2.5983   -3.0004    0.0000 O   0  5
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.3022    5.2508    0.0000 N   0  0
   -2.6030    5.9994    0.0000 C   0  0
   -3.9007    5.2471    0.0000 O   0  0
   -2.6061    7.5002    0.0000 N   0  0
   -3.9069    8.2488    0.0000 C   0  0
   -3.9122    9.7488    0.0000 C   0  0
   -5.2138   10.4943    0.0000 C   0  0
   -5.2190   11.9943    0.0000 C   0  0
   -6.5207   12.7397    0.0000 C   0  0
   -7.8171   11.9852    0.0000 C   0  0
   -7.8119   10.4853    0.0000 C   0  0
   -9.1083    9.7308    0.0000 O   0  0
   -6.5103    9.7398    0.0000 C   0  0
   -6.5051    8.2398    0.0000 C   0  0
   -5.2034    7.4943    0.0000 C   0  0
   -6.5259   14.2406    0.0000 S   0  0
   -5.2299   14.9959    0.0000 O   0  0
   -7.8278   14.9856    0.0000 O   0  0
   -6.5318   15.7406    0.0000 O   0  5
    6.3990    6.3701    0.0000 Na  0  3
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16  6  1  0
 10 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 23  1  0
 29 30  1  0
 30 31  2  0
 31 21  1  0
 25 32  1  0
 32 33  2  0
 32 34  2  0
 32 35  1  0
M  CHG  4   1   1   2  -1  35  -1  36   1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13049

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
AMI-1

> <ctcr_id>
12468

> <supplier_cmpd_id>
T2352

> <smiles>
[Na+].[O-]S(=O)(=O)c1cc2cc(ccc2c(O)c1)NC(=O)Nc1cc2cc(cc(O)c2cc1)S(=O)(=O)[O-].[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MI,20324-87-2,20324872,AMI-1,AMI1,"Disodium 7,7'-(carbonyldiimino)bis(4-hydroxynaphthalene-2-sulphonate)","Disodium 7,7'(carbonyldiimino)bis(4hydroxynaphthalene2sulphonate)","AMI-1 disodium salt","AM
I1 disodium salt","AMI-1 sodium salt","AMI1 sodium salt","AMI 1",CHEMBL3109656,"EINECS 243-735-4","EINECS 2437354",C21H14N2Na2O9S2,SCHEMBL6079061,DTXSID80889678,BCP15937,s7884,AKOS015918260,AC,T2352}

> <pdid>

> <targets>
{PRMT1,"yeast Hmt1p"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{88489}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 39 44  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5826   -7.5048    0.0000 C   0  0
    1.2823   -8.2526    0.0000 O   0  0
    3.8809   -8.2579    0.0000 N   0  0
    3.8810   -9.7579    0.0000 C   0  0
    5.1800  -10.5079    0.0000 C   0  0
    6.4790   -9.7579    0.0000 C   0  0
    6.4790   -8.2579    0.0000 C   0  0
    5.1800   -7.5079    0.0000 C   0  0
    7.7787  -10.5083    0.0000 N   0  0
    7.9190  -11.9889    0.0000 C   0  0
    9.3867  -12.2985    0.0000 C   0  0
   10.1346  -10.9982    0.0000 C   0  0
    9.1291   -9.8851    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 N   0  0
   -1.3117   -5.2360    0.0000 C   0  0
   -2.6159   -5.9769    0.0000 C   0  0
   -3.9097   -5.2180    0.0000 C   0  0
   -3.8994   -3.7180    0.0000 C   0  0
   -2.5952   -2.9770    0.0000 C   0  0
   -1.3014   -3.7360    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  9  1  0
  2 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 26  1  0
 17 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 31 39  2  0
 39 14  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13050

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
UNC1215

> <ctcr_id>
1417

> <supplier_cmpd_id>
T2379

> <smiles>
O=C(N1CCC(CC1)N2CCCC2)c3ccc(C(=O)N4CCC(CC4)N5CCCC5)c(Nc6ccccc6)c3

> <pd_targets>
{L3MBTL3,L3MBTL1,TP53BP1,MBTD1,CHRM1}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Reader,"Family A G protein-coupled receptor","Methyl-lysine/arginine binding protein","Small molecule receptor (family A GPCR)","MBT domain","Tudor domain",
"Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Chromatin-interacting transcriptional repressors","G protein-coupled receptors","Methyllysine reader proteins","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","Signal Transduction","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Signaling by GPCR","Generic Transcription Pathway","Homology D
irected Repair","GPCR ligand binding","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","Regulat
ion of TP53 Activity","Processing of DNA double-strand break ends","Amine ligand-binding receptors","Regulation of TP53 Activity through Methylation","Muscarinic acetylcholine receptors"}

> <broad_targets>
{L3MBTL3}

> <broad_moa>
{"L3MBTL antagonist"}

> <synonyms>
{1415800-43-9,1415800439,UNC-1215,"UNC 1215",CHEMBL2426364,"2-Phenylamino-1,4-bis(4-(pyrrolidinyl)piperidinyl)benzamide","2Phenylamino1,4bis(4(pyrrolidinyl)piperidinyl)benzamide","2-Phenylamino-1,4-bi
s(4-(pyrrolidinyl)-piperidinyl)benzamide)","2Phenylamino1,4bis(4(pyrrolidinyl)piperidinyl)benzamide)",MLS006011024,GTPL8232,SCHEMBL19730381,CHEBI:95086,AOB4333,EX-A193,EXA193,T2379,S7088,UNC1215}

> <pdid>
PD000005

> <targets>
{"Epigenetic Reader Domain"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{57339144}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -1.3553   -2.5513    0.0000 C   0  0
   -0.4775   -3.7676    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    3.1202   -2.0921    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 N   0  0
   -1.9623    2.7008    0.0000 N   0  0
   -2.4258    1.2743    0.0000 C   0  0
   -3.8515    0.8135    0.0000 N   0  0
   -4.9659    1.8188    0.0000 C   0  0
   -4.6522    3.2856    0.0000 O   0  0
   -6.3940    1.3573    0.0000 C   0  0
   -7.5092    2.3604    0.0000 C   0  0
   -8.9356    1.8962    0.0000 C   0  0
   -9.2468    0.4288    0.0000 C   0  0
   -8.1316   -0.5743    0.0000 C   0  0
   -6.7052   -0.1101    0.0000 C   0  0
  -10.6739   -0.0356    0.0000 N   0  0
  -11.7908    0.9658    0.0000 C   0  0
  -13.2164    0.4993    0.0000 C   0  0
  -13.5252   -0.9685    0.0000 N   0  0
  -14.9509   -1.4350    0.0000 C   0  0
  -12.4085   -1.9699    0.0000 C   0  0
  -10.9828   -1.5035    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.2853   -6.2028    0.0000 C   0  0
    2.1669   -7.4164    0.0000 C   0  0
    3.6587   -7.2596    0.0000 C   0  0
    4.2689   -5.8893    0.0000 C   0  0
    3.3872   -4.6758    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 21  1  0
 11 28  1  0
 28  8  2  0
 28 29  1  0
 29  6  1  0
  3 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13051

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
Danusertib

> <ctcr_id>
1335

> <supplier_cmpd_id>
T2094

> <smiles>
COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5

> <pd_targets>
{AURKC,AURKA,AURKB,LCK,SLK,ABL1,FGFR1,FLT4,KDR,CDK2,FLT3,PLK1,NTRK1,RET,KIT,CAMK2G,MARK3,CAMK2B,MARK2,FLT1,EPHA2,NTRK2,SYK,FES,MAP4K2,ALK,PLK4,NTRK3,PRKAA1,PRKCD,LRRK2,EGFR,PTK6,ITK,PRKD3,FGFR3,CAMK2D
,CLK4,CLK2,CSF1R,BRSK1,PRKD2,FRK,MAP4K4,PHKG2,LIMK1,JAK2,DAPK3,PAK4,JAK3,TSSK1B,BTK,FYN,MAP4K5,DCLK1,STK3,SRC,ACVR1,CDK7,FER,LTK,TNK2,TAOK1,CDK5,ROS1,PTK2,MST1R,SRMS,LYN,BLK,MELK,PKN2,CDK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","CMGC protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase
 Src family","STE protein kinase STE20 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Tyros
ine protein kinase PDGFR family","Other protein kinase PLK family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ret family","STE protein kinase SLK subfamily","CMGC protein kinase CDC
2 subfamily","CAMK protein kinase group","TKL protein kinase group","AGC protein kinase group","CAMK protein kinase CAMK2 family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Eph family
","Tyrosine protein kinase Syk family","Tyrosine protein kinase Fer family","TKL protein kinase STKR family","AGC protein kinase PKC family","TKL protein kinase LRRK family","Tyrosine protein kinase E
GFR family","Tyrosine protein kinase Tec family","CAMK protein kinase PKD family","CMGC protein kinase CLK family","CAMK protein kinase PHk family","TKL protein kinase LISK family","Tyrosine protein k
inase JakA family","CAMK protein kinase DAPK family","CAMK protein kinase TSSK family","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ack family","Ty
rosine protein kinase Sev family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Met family","AGC protein kinase PKN family","CAMK protein kinase MARK subfamily","STE protein kinase KHS
 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase BRSK subfamily","STE protein kinase MSN subfam
ily","TKL protein kinase LIMK subfamily","STE protein kinase PAKB subfamily","Tyrosine protein kinase SrcA","STE protein kinase MST subfamily","TKL protein kinase STKR1","CMGC protein kinase CDK7 subf
amily","STE protein kinase TAO subfamily","CMGC protein kinase CDK5 subfamily","Tyrosine protein kinase Srm","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"Other protein kinases","TK: Tyrosine kinase","STE20 family","Cyclin-dependent kinase (CDK) family","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","SLK subfamily","Receptor tyros
ine kinases (RTKs)","CDK1 subfamily","Polo-like kinase (PLK) family","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial g
rowth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIV RTKs: RET","CAMK: Calcium/calmodulin-dependent protein
 kinases","AGC: Containing PKA",PKG,"PKC families","CAMK2 family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","TKL: Tyrosine kinase-like","Protein kinase D (PKD) family","CLK family","P
hosphorylase kinase (PHK) family","Death-associated kinase (DAPK) family","Testis specific kinase (TSSK) family","DCAMKL family","Protein kinase N (PKN) family","MARK subfamily","KHS subfamily","AMPK 
subfamily","Delta subfamily","Leucine-rich repeat kinase (LRRK) family","BRSK subfamily","MSN subfamily","LIM domain kinase (LISK) family","PAKB subfamily","MST subfamily","Receptor serine/threonine k
inase (RSTK) family","CDK7 subfamily","TAO subfamily","CDK5 subfamily","MELK subfamily","Type XIII RTKs: Ephrin receptor family","Syk family","Fer family","Type XIX RTKs: Leukocyte tyrosine kinase (LT
K) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","LIMK subfamily","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","Ack family","Ty
pe XVII RTKs: ROS receptors","Fak family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Infectious disease","Diseases of signal transduction by
 growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Nervous system development","Generic Transcription Pathway","M Phase","HIV Infection","Leishmania infection","
Signaling by FGFR in disease","Signaling by VEGF","Signaling by Insulin receptor","Mitotic G2-G2/M phases","Signaling by NTRKs","Axon guidance","Signaling by KIT in disease","Transcriptional Regulatio
n by TP53","Mitotic Metaphase and Anaphase","Host Interactions of HIV factors","Parasite infection","Signaling by FGFR1 in disease","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Insulin 
receptor signalling cascade","G2/M Transition","Signaling by NTRK1 (TRKA)","RET signaling","Drug resistance of KIT mutants","Regulation of TP53 Activity","Mitotic Anaphase","The role of Nef in HIV-1 r
eplication and disease pathogenesis","Leishmania phagocytosis","FGFR1 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","IRS-media
ted signalling","Centrosome maturation","Signalling to ERKs","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","Nef-mediates dow
n modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Regulation of TP53 Expression and Degrad
ation","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Prolonged ERK activation events","Nef Mediated CD4 Down-regulation","Regulation of TP53 D
egradation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","Neuronal System","Immune System",Metabolism,"Cellular responses to external stimuli","Programmed Cell Death","Transmissio
n across Chemical Synapses","Intracellular signaling by second messengers","Signaling by Non-Receptor Tyrosine Kinases","Signaling by GPCR","Adaptive Immune System","Metabolism of lipids","Cellular re
sponses to stress","Metabolism of carbohydrates",Apoptosis,"Cytokine Signaling in Immune system","Signaling by Hippo","Signaling by Rho GTPases","Neurotransmitter receptors and postsynaptic signal tra
nsmission","Oncogenic MAPK signaling","DAG and IP3 signaling","Signaling by PTK6","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","TCR signaling","Sphingolipid metabolism","PIP3 ac
tivates AKT signaling","Cellular Senescence","Glycogen metabolism","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Interleukins","Signaling by SCF-KIT","Signaling by MST1
","RHO GTPase Effectors","Regulation of mitotic cell cycle","Activation of NMDA receptors and postsynaptic events","Signaling by RAS mutants","EPH-Ephrin signaling","Leishmania parasite growth and sur
vival","Semaphorin interactions","Signaling by NTRK3 (TRKC)","CaM pathway","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","G1 Phase","Generation of second messenger molecules","Sp
hingolipid de novo biosynthesis","Signaling by FGFR3 in disease","Transcriptional Regulation by VENTX","PTEN Regulation","Oxidative Stress Induced Senescence","Glycogen breakdown (glycogenolysis)","Ca
spase activation via Dependence Receptors in the absence of ligand","Signaling by ROBO receptors","Interleukin-2 family signaling","HIV Life Cycle","PTK6 Down-Regulation","Transcriptional regulation b
y RUNX1","RHO GTPases activate PKNs","APC/C-mediated degradation of cell cycle proteins","Post NMDA receptor activation events","Signaling downstream of RAS mutants","EPHA-mediated growth cone collaps
e","Activation of TRKA receptors","Anti-inflammatory response favouring Leishmania parasite infection","CRMPs in Sema3A signaling","Activated NTRK3 signals through PI3K","Calmodulin induced events","G
astrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","Signaling by FGFR3 point mutants in cancer","Regulation of PTEN stability and activity","Sema4D in semaphorin signa
ling","Activation of RAC1","Interleukin-15 signaling","Late Phase of HIV Life Cycle","RUNX1 regulates transcription of genes involved in BCR signaling","Activation of APC/C and APC/C:Cdc20 mediated de
gradation of mitotic proteins","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","NGF-independant TRKA activation","FCGR3A-mediated IL10 synthesis","EGFR Transactivati
on by Gastrin","FGFR3 mutant receptor activation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Signalling to RAS","Transcription of the HIV genome","APC/C:Cd
c20 mediated degradation of mitotic proteins","Ras activation upon Ca2+ influx through NMDA receptor","Signaling by activated point mutants of FGFR3","p38MAPK events","HIV Transcription Elongation","A
PC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Tat-mediated elongation of the HIV-1 transcript","Cdc20:Phospho-APC/C mediated degradation of C
yclin A","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HA739358(DANUSERTIB,CHEMBL1981047,Kinome_3738,Kinome3738,Kinome-3738,"Kinome 3738",ACMC-20c501,ACMC20c501,SCHEMBL2685432,HMS3244O13,HMS3244O14,HMS3244P13,HMS3654A04,BDBM50466807,AKOS015851423,NCGC003
89696-01,NCGC0038969601,AK468661,DB-014747,DB014747,FT-0665468,FT0665468,136M937,T2094,S1107,Danusertib,PHA-739358(Danusertib),"Danusertib (PHA-739358)"}

> <pdid>
PD011133

> <targets>
{"Aurora | FGFR | Src-bcr-Abl","Aurora Kinase",c-RET,FGFR,Bcr-Abl}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{21874004}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 42 46  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    5.1820   -6.0160    0.0000 C   0  0
    6.4849   -5.2728    0.0000 O   0  0
    5.1746   -7.5168    0.0000 N   0  0
    6.4702   -8.2744    0.0000 C   0  0
    6.4629   -9.7752    0.0000 C   0  0
    7.7567  -10.5343    0.0000 C   0  0
    9.0609   -9.7933    0.0000 C   0  0
    7.7464  -12.0342    0.0000 C   0  0
    6.4422  -12.7752    0.0000 C   0  0
    6.4318  -14.2752    0.0000 C   0  0
    5.1483  -12.0163    0.0000 N   0  0
    5.1587  -10.5163    0.0000 C   0  0
    3.8649   -9.7574    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 C   0  0
   -0.0140   -5.9954    0.0000 C   0  0
   -1.3117   -5.2430    0.0000 C   0  0
   -2.6121   -5.9906    0.0000 C   0  0
   -2.6149   -7.4906    0.0000 C   0  0
   -3.9146   -8.2413    0.0000 C   0  0
   -3.9152   -9.7421    0.0000 N   0  0
   -5.2130  -10.4943    0.0000 C   0  0
   -5.2106  -11.9943    0.0000 C   0  0
   -3.9104  -12.7422    0.0000 O   0  0
   -2.6126  -11.9901    0.0000 C   0  0
   -2.6150  -10.4901    0.0000 C   0  0
   -1.3173   -8.2430    0.0000 C   0  0
   -0.0169   -7.4954    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  3 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 19  1  0
 26 27  2  0
 14 28  2  0
 28 10  1  0
 28 29  1  0
 12 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 33 41  1  0
 41 42  2  0
 42 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13052

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
EPZ6438

> <ctcr_id>
3020

> <supplier_cmpd_id>
T1788

> <smiles>
CCN(C1CCOCC1)c2cc(cc(C(=O)NCC3=C(C)C=C(C)NC3=O)c2C)c4ccc(CN5CCOCC5)cc4

> <pd_targets>
{EZH2,EED,AEBP2,EZH1,RBBP4,SUZ12}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Ceramide turnover","2.1.1.43 Histone methyltransferases (HMTs)","Neutral sphingomyelinase coupling factors"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{Tazemetostat,1403254-99-8,1403254998,EPZ-6438,EPZ6438,E7438,UNII-Q40W93WPE1,UNIIQ40W93WPE1,"EPZ 6438",E-7438,Q40W93WPE1,"Tazemetostat (INN)",Tazverik,"Tazemetostat (USAN)","Tazemetostat (USAN/INN)","
Tazemetostat (USAN:INN)","E 7438",Tazemetostat(EPZ-6438),Tazemetostat(EPZ6438),"Tazemetostat (EPZ-","Tazemetostat (EPZ",T1788,S7128}

> <pdid>
PD010610

> <targets>
{"Histone Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{66558664}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
    2.4522    2.0983    0.0000 C   0  0
    3.8856    1.6562    0.0000 C   0  0
    4.2194    0.1938    0.0000 C   0  0
    3.1198   -0.8265    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0  1  0  0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.4012   -2.9095    0.0000 C   0  0
    0.4925   -4.1079    0.0000 C   0  0
    1.0734   -5.4909    0.0000 C   0  0
    2.5615   -5.6793    0.0000 C   0  0
    3.4687   -4.4848    0.0000 C   0  0
    2.8879   -3.1018    0.0000 C   0  0
    3.1424   -7.0623    0.0000 Cl  0  0
   -3.1510   -0.7161    0.0000 C   0  0
   -4.1703    0.3855    0.0000 C   0  0
   -5.6334    0.0548    0.0000 O   0  0
   -3.7257    1.8181    0.0000 N   0  0
   -2.3882    2.1623    0.0000 O   0  0
   -1.6774    3.4832    0.0000 N   0  0
   -0.2015    3.2154    0.0000 C   0  0
    0.8826    4.2520    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
  9 19  1  1
 19 20  1  0
 20 21  2  0
 20 22  1  0
  8 23  1  0
 23 24  1  0
 24 25  2  0
 25  7  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13053

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
CPI-0610

> <ctcr_id>
13887

> <supplier_cmpd_id>
T2091

> <smiles>
c1cccc2c1c1c([C@@H](N=C2c2ccc(cc2)Cl)CC(=O)N)onc1C

> <pd_targets>
{BRD4}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","Potential therapeutics for SARS"}

> <broad_targets>
{BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{PI061,CHEMBL4303404,CPI0610,U4017GUQ06,"CPI 0610",Cpi-0610,Cpi0610,1380087-89-7,1380087897,UNII-U4017GUQ06,UNIIU4017GUQ06,"CPI-0610 anhydrous","CPI0610 anhydrous",pelabresib,GTPL9120,SCHEMBL15926539,
CPI-232,CPI232,BCP10741,EX-A1612,EXA1612,BDBM50510872,NSC784856,s7853,AKOS030526467,ZINC200480149,CPI-267232,CPI267232,CS-5592,CS5592,NSC-7,NSC7,T2091,CPI-0610}

> <pdid>
PD049077

> <targets>
{MYC,BRD4-BD1}

> <classes>
{"Cell Cycle/Checkpoint",Chromatin/Epigenetic}

> <pubchem_cids>
{57389999}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 C   0  0
   -1.2990  -10.5965    0.0000 C   0  0
   -2.3028  -11.7111    0.0000 C   0  0
   -3.7700  -11.3990    0.0000 C   0  0
   -4.7767  -12.5121    0.0000 C   0  0
   -6.2443  -12.1977    0.0000 C   0  0
   -7.2510  -13.3108    0.0000 C   0  0
   -6.7902  -14.7383    0.0000 O   0  0
   -8.7185  -12.9965    0.0000 N   0  0
   -9.7247  -14.1089    0.0000 O   0  0
   -4.2333   -9.9723    0.0000 C   0  0
   -3.2294   -8.8578    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 18 25  1  0
 25 26  2  0
 26 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13054

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
Panobinostat

> <ctcr_id>
7451

> <supplier_cmpd_id>
T2383

> <smiles>
Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3

> <pd_targets>
{HDAC7,HDAC5,HDAC6,HDAC8,HDAC9,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,BRD4,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class IIa","HDAC class IIb","HDAC class I","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription",Mitotic,"Disorders of Devel
opmental Biology","Infectious disease","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","M Phase","Disorders of Nervous System Development","SARS-CoV Infections","Signaling by NOTCH1 HD
+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Pervasive developmental disorders","Transcriptional Regulation by TP53","Potential therapeutics 
for SARS","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates bone development","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RU
NX2 regulates osteoblast differentiation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability 
to the NCoR/SMRT complex","RUNX2 regulates chondrocyte maturation"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{AM808102,AS-17046,AS17046,HY-10224,HY10224,QC-10419,QC10419,SMR004702978,Panobinostat,404950-80-7,404950807,LBH589,LBH-589,Farydak,Faridak,"LBH 589","Panobinostat (LBH589)",NVP-LBH-589,NVPLBH589,UNII
-9647FM7Y3Z,UNII9647FM7Y3Z,LBH-589B,LBH589B,CHEBI:85990,9647FM7Y3Z,"404950-80-7 (free base)","404950807 (free base)",NVP-LBH589,"Farydak (TN)",T2383,761190,S1030}

> <pdid>
PD003575

> <targets>
{HDAC,Apoptosis,Autophagy,HIV}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{6918837}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 39 43  0  0  1  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0  2  0  0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 N   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -9.1031    5.2364    0.0000 N   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1876    6.0124    0.0000 C   0  0
    5.1824    7.5124    0.0000 C   0  0
    3.8807    8.2579    0.0000 C   0  0
    2.5843    7.5034    0.0000 N   0  0
    2.5895    6.0034    0.0000 C   0  0
    1.2931    5.2490    0.0000 O   0  0
    3.8755    9.7579    0.0000 C   0  0
    6.4892    5.2670    0.0000 C   0  0
    3.8805   -1.4410    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  5  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
  9 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
 35 36  2  0
 33 37  1  0
 31 38  1  0
  7 39  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13055

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
GSK126

> <ctcr_id>
12535

> <supplier_cmpd_id>
T2079

> <smiles>
CC[C@H](C)n1cc(c2c(cc(cc12)c1cnc(cc1)N1CCNCC1)C(=O)NCc1c(cc([nH]c1=O)C)C)C

> <pd_targets>
{EED,EZH2,SUZ12}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{GSK126,1346574-57-9,1346574579,GSK-126,"EZH2 inhibitor","GSK 126",GSK-2816126,GSK2816126,UNII-W4OGW9QZ97,UNIIW4OGW9QZ97,W4OGW9QZ97,CHEMBL3287735,A9G,"GSK126 HCl","GSK-126 HCl",MLS006010251,GTPL7012,S
CHEMBL12180401,AOB1764,EX-A499,EXA499,SYN5012,CHEBI:124921,BCP06129,BDBM50017293,G,T2079}

> <pdid>
PD012861

> <targets>
{EZH2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{68210102}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 N   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -9.1031    5.2364    0.0000 N   0  0
  -10.4045    5.9823    0.0000 C   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1876    6.0124    0.0000 C   0  0
    6.4892    5.2670    0.0000 C   0  0
    5.1824    7.5124    0.0000 C   0  0
    3.8807    8.2579    0.0000 C   0  0
    3.8755    9.7579    0.0000 C   0  0
    2.5843    7.5034    0.0000 N   0  0
    2.5895    6.0034    0.0000 C   0  0
    1.2931    5.2490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 20  1  0
  9 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 38 31  1  0
 38 39  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13056

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
GSK503

> <ctcr_id>
12534

> <supplier_cmpd_id>
T1775

> <smiles>
CC(C)n1cc(C)c2c(cc(cc12)c1cnc(cc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O

> <pd_targets>
{EZH2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{GSK503,1346572-63-1,1346572631,GSK-503,"GSK-503?EZH2 inhibitor","GSK503?EZH2 inhibitor",SCHEMBL2595868,CHEMBL3909511,EX-A613,EXA613,BCP15520,GSK2635503C,3708AH,MFCD28405142,s7804,ZINC72318149,AKOS026
750204,CCG-269894,CCG269894,SB19708,AC-30935,AC30935,AK242035,DA-45878,DA45878,HY-12856,HY12856,B5833,FT-0700173,FT0700173,J-690138,J690138,T1775}

> <pdid>
PD012804

> <targets>
{EZH2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{67469117}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -3.9051    5.2502    0.0000 C   0  0
   -5.2059    5.9987    0.0000 C   0  0
   -5.2090    7.4996    0.0000 C   0  0
   -6.5099    8.2481    0.0000 C   0  0
   -6.5130    9.7489    0.0000 N   0  0
   -7.7265   10.6087    0.0000 C   0  0
   -7.2630   12.0353    0.0000 C   0  0
   -5.7630   12.0354    0.0000 C   0  0
   -5.2994   10.6088    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -6.5492   -0.8815    0.0000 C   0  0
   -7.5511   -1.9978    0.0000 C   0  0
   -6.7990   -3.2957    0.0000 C   0  0
   -5.3323   -2.9815    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
  9 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24  8  1  0
 24 25  2  0
 25  3  1  0
 22 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13057

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
UNC0379

> <ctcr_id>
12569

> <supplier_cmpd_id>
T1841

> <smiles>
COc1c(OC)cc2c(NCCCCCN3CCCC3)nc(nc2c1)N1CCCC1

> <pd_targets>
{KMT5A}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","SET domain"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{UNC0379,1620401-82-2,1620401822,UNC-0379,CHEMBL3318285,"UNC 0379",C23H35N5O2,CS-3345,CS3345,HY-12335,HY12335,SCHEMBL22568439,AOB6365,EX-A461,EXA461,SYN5081,BCP10429,3362AH,BDBM50051117,MFCD28167817,s
7570,ZINC98214604,AKOS025404942,"UNC 0379;UNC-0379","UNC 0379;UNC0379",CCG-268809,CCG268809,SB19349,NCGC003841,T1841}

> <pdid>
PD012985

> <targets>
{SETD8}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{78357767}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.8095   -0.9528    0.0000 O   0  0
   14.1088   -0.2033    0.0000 P   0  0
   15.4080   -0.9528    0.0000 O   0  0
   14.1088    1.2967    0.0000 O   0  0
   14.1088   -1.7033    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 18  1  0
 26 22  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13058

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
Baricitinib Phosphate

> <ctcr_id>
202

> <supplier_cmpd_id>
T2360

> <smiles>
CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34.OP(=O)(O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCB424ANALOGU,"Baricitinib phosphate",1187595-84-1,1187595841,"Baricitinib (phosphate)","Baricitinib phosphate salt","1187595-84-1 (phosphate)","1187595841 (phosphate)",UNII-XIB47S8NNB,UNIIXIB47S8NNB
,XIB47S8NNB,INCB-28050,INCB28050,SCHEMBL871037,DTXSID30657980,SYN1117,C16H17N7O2S.H3PO4,BCP15527,HY-1531,HY1531,T2360,SY-INCB424-Analogue,Baricitinib Phosphate,INCB424-Analogue}

> <pdid>

> <targets>
{JAK,JAK2,JAK1}

> <classes>
{}

> <pubchem_cids>
{44231848}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.2256   -4.6869    0.0000 C   0  0
    2.7071   -3.2793    0.0000 O   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    6.1069   -1.2335    0.0000 C   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.6002    1.8430    0.0000 F   0  0
    3.1484   -0.7186    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 N   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -5.6526   -0.2516    0.0000 N   0  0
   -5.9845   -1.7153    0.0000 C   0  0
   -7.4163   -2.1625    0.0000 C   0  0
   -7.7450   -3.6260    0.0000 C   0  0
   -6.6419   -4.6424    0.0000 C   0  0
   -6.9738   -6.1061    0.0000 C   0  0
   -5.8725   -7.1245    0.0000 O   0  0
   -8.4063   -6.5512    0.0000 O   0  0
   -5.2101   -4.1953    0.0000 C   0  0
   -4.1043   -5.2101    0.0000 O   0  0
   -2.6731   -4.7610    0.0000 C   0  0
   -4.8814   -2.7318    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -5.4558    0.0000 Cl  0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  3  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 21 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28 18  1  0
 16 29  1  0
 29 30  2  0
 30 13  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 37 10  1  0
 37 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13059

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
Alisertib

> <ctcr_id>
2437

> <supplier_cmpd_id>
T2241

> <smiles>
COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(O)=O)c(OC)c4)nc3c5ccc(Cl)cc25

> <pd_targets>
{LRRK2,AURKA,NTRK1,PTK2,ERBB4,LCK,RPS6KA3,GRK5,FGFR1,AURKB,EPHA2,FLT1,PDPK1,NTRK2,FGFR3,ABL1,RET,SRC,KDR,FRK,GABRA1,ROS1,PLK4,LTK,LIMK1,PIM3,CSNK2A1,SRPK1,BLK,SLK,NTRK3,TNK2,BTK,INCENP,EGFR,ERBB2,CDK8
,PRKACA,FER,CLK4,BRSK1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel","Protein Kinase","GABA-A receptor","TKL protein kinase group","Other protein kinase group","TK protein kinase group","AGC protein kinase group",
"CAMK protein kinase group","CMGC protein kinase group","STE protein kinase group","TKL protein kinase LRRK family","Other protein kinase AUR family","Tyrosine protein kinase Trk family","Tyrosine pro
tein kinase Fak family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","AGC protein kinase RSK family","AGC protein kinase GRK family","Tyrosine protein kinase FGFR family"
,"Tyrosine protein kinase Eph family","Tyrosine protein kinase VEGFR family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Abl family","Tyrosine protein kinase Ret family","Tyrosine pro
tein kinase Sev family","Other protein kinase PLK family","Tyrosine protein kinase Alk family","TKL protein kinase LISK family","CAMK protein kinase PIM family","Other protein kinase CK2 family","CMGC
 protein kinase SRPK family","STE protein kinase STE20 family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","AGC protein kinase PKA family
","Tyrosine protein kinase Fer family","CMGC protein kinase CLK family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK subfamily","AGC protein kinase GRK subfamily","TKL protein kinase LIM
K subfamily","STE protein kinase SLK subfamily","CMGC protein kinase CDK8 subfamily","CAMK protein kinase BRSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","GABA<sub>A</sub> receptors","CAM
K: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TKL: Tyrosine kinase-like","Other
 protein kinases","TK: Tyrosine kinase","RSK family","G protein-coupled receptor kinases (GRKs)","PDK1 family","PIM family","SRPK family","STE20 family","Cyclin-dependent kinase (CDK) family","Protein
 kinase A (PKA) family","CLK family","CAMK-like (CAMKL) family","Leucine-rich repeat kinase (LRRK) family","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","RSK subfamily","GRK4 subfamily","Polo-like kinase (PLK) family","LIM domain kinase (LISK) family","Casein kinase 2 (CK2) family","SLK subfamily","CDK8 subfamily","BRSK subfamily","Type VII
 RTKs: Neurotrophin receptor/Trk family","Fak family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XII
I RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte ty
rosine kinase (LTK) receptor family","LIMK subfamily","Ack family","Tec family","Fer family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Neuronal System","Immune System","Cell Cycle","Developmental Biology","Signaling by Non-Receptor Tyrosine Kinases","RNA Polymerase II 
Transcription","Signaling by Receptor Tyrosine Kinases","Infectious disease","Transmission across Chemical Synapses","Innate Immune System","Signaling by GPCR","Diseases of signal transduction by grow
th factor receptors and second messengers",Mitotic,"Nervous system development","Intracellular signaling by second messengers","Signaling by PTK6","Generic Transcription Pathway","Signaling by NTRKs",
"Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Toll-like Receptor Cascades","GPCR downstream signalling","Signaling by FGFR in disease","M Ph
ase","Axon guidance","Signaling by VEGF","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Signaling by NOTCH1 in Cancer","Signaling by SCF-KIT","PTK6 promotes HIF1A stabilization","Transcripti
onal Regulation by TP53","Signaling by NTRK1 (TRKA)","Parasite infection","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade
","G alpha (q) signalling events","Signaling by FGFR1 in disease","Mitotic Metaphase and Anaphase","EPH-Ephrin signaling","VEGF ligand-receptor interactions","Signaling by FGFR3 in disease","RET signa
ling","VEGFA-VEGFR2 Pathway","PTEN Regulation","GABA receptor activation","G2/M Transition","Semaphorin interactions","Transcriptional regulation by RUNX1","Signaling by NTRK3 (TRKC)","Signaling by NO
TCH1 HD+PEST Domain Mutants in Cancer","Regulation of TP53 Activity","Signalling to ERKs","Leishmania phagocytosis","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and dis
ease pathogenesis","MyD88 cascade initiated on plasma membrane","FGFR1 mutant receptor activation","Mitotic Anaphase","EPHA-mediated growth cone collapse","VEGF binds to VEGFR leading to receptor dime
rization","Activation of TRKA receptors","Signaling by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activity","Centrosome maturation","Sema4D i
n semaphorin signaling","RUNX1 regulates transcription of genes involved in BCR signaling","Activated NTRK3 signals through PI3K","Gastrin-CREB signalling pathway via PKC and MAPK","Constitutive Signa
ling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","Long-term potentiation","Nef-mediates dow
n modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","Signaling by activated point mutants of FGFR1","Separation of Sister Chromatids","Regulation of
 TP53 Expression and Degradation","NGF-independant TRKA activation","FGFR3 mutant receptor activation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the c
entrosome","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediat
ed by MAP kinases","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3","p38MAPK events","Loss of Nlp from mitotic centrosomes","CREB phosphorylation"}

> <broad_targets>
{AURKA}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{Alisertib,1028486-01-2,1028486012,MLN8237,MLN-8237,"MLN8237 (Alisertib)","MLN 8237",UNII-T66ES73M18,UNIIT66ES73M18,CHEMBL483158,T66ES73M18,"Alisertib (USAN:INN)","Alisertib (MLN8237)","Alisertib (USA
N)","MLN8237,Alisertib",Kinome_3770,Kinome3770,Kinome-3770,"Kinome 3770",PubChem22398,"Alisertib; MLN8237",M,T2241,S1133,alisertib}

> <pdid>
PD003337

> <targets>
{Aurora,"Aurora Kinase",Apoptosis,Autophagy}

> <classes>
{Cell Cycle,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{24771867}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -4.0195    1.4524    0.0000 C   0  0
   -3.2716    2.7526    0.0000 C   0  0  1  0  0  0
   -3.2550    4.2431    0.0000 N   0  0
   -4.5456    5.0091    0.0000 C   0  0
   -4.5310    6.5090    0.0000 C   0  0
   -5.8226    7.2717    0.0000 C   0  0
   -7.1289    6.5345    0.0000 N   0  0
   -7.1437    5.0346    0.0000 C   0  0
   -5.8520    4.2719    0.0000 C   0  0
    6.2990    2.8859    0.0000 Cl  0  0
    3.7990    2.8859    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  7  4  1  6
  7  8  1  0
  8  9  1  0
  9  7  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13060

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
GSK-LSD1 dihydrochloride

> <ctcr_id>
13486

> <supplier_cmpd_id>
T2315

> <smiles>
c1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1.Cl.Cl

> <pd_targets>
{CISD1,KDM1A}

> <pathway_gtopdb>
{"Unclassified protein","Epigenetic regulator",Eraser,"Lysine demethylase","Lysine-specific demethylase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{KDM1A}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{"SKLSD1 DIHYDROCHLORID","GSK-LSD1 Dihydrochloride","GSKLSD1 Dihydrochloride","GSK-LSD1 2HCl","GSKLSD1 2HCl","GSK-LSD1 (dihydrochloride)","GSKLSD1 (dihydrochloride)",GSK-LSD1,GSKLSD1,2102933-95-7,2102
933957,"N-((1R,2S)-2-phenylcyclopropyl)piperidin-4-amine dihydrochloride","N((1R,2S)2phenylcyclopropyl)piperidin4amine dihydrochloride","1821798-25-7 (2HCl)","1821798257 (2HCl)",1431368-48-7,143136848
7,"GSK LSD1 Dihydrochloride",18217,T2315,"GSK-LSD1 dihydrochloride"}

> <pdid>
PD006377

> <targets>
{LSD1,Histone Demethylase,Monoamine Oxidase}

> <classes>
{Chromatin/Epigenetic,Epigenetics,Neuronal Signaling}

> <pubchem_cids>
{91663353}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 O   0  0
   -1.2989    2.2506    0.0000 O   0  0
    1.2993    3.7521    0.0000 N   0  0
    2.5988    3.0029    0.0000 C   0  0
    3.8973    3.7537    0.0000 C   0  0
    3.8964    5.2537    0.0000 O   0  0
    2.5969    6.0029    0.0000 C   0  0
    1.2983    5.2521    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
    9.0866   -5.2610    0.0000 Cl  0  0
    3.8904   -8.2609    0.0000 O   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  5  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
  1 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 26 28  1  0
 23 29  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13061

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
SP2509

> <ctcr_id>
11947

> <supplier_cmpd_id>
T2304

> <smiles>
C(=O)(c1cc(ccc1)S(=O)(=O)N1CCOCC1)N/N=C(\C)/c1c(ccc(c1)Cl)O

> <pd_targets>
{KDM1A,CYP2C9,CYP3A4,CYP2C19}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,"Cytochrome P450","Lysine demethylase","Cytochrome P450 family 2","Cytochrome P450 family 3","Lysine-specific demethylase","Cytochrome P450 family 2C","Cytochrome
 P450 family 3A","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Intracellular signaling by second messengers","Biological oxidations","Metabolism of lipids","PIP3 activates AKT signaling","Phase I - Functionalization of compounds
","Biosynthesis of specialized proresolving mediators (SPMs)","PTEN Regulation","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Regulation of PTEN gene transcription
",Xenobiotics,"Biosynthesis of maresins","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SP2509,1423715-09-6,1423715096,SCHEMBL14696905,AOB87763,ZINC57407777,AKOS026750416,A14443,1287421-04-8,1287421048,T2304}

> <pdid>
PD012831

> <targets>
{LSD1,Apoptosis,Histone Demethylase}

> <classes>
{Chromatin/Epigenetic,Apoptosis,Epigenetics}

> <pubchem_cids>
{136062272}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 N   0  0
    0.0000    2.7767    0.0000 C   0  0
    1.1393    3.7252    0.0000 C   0  0
    0.5656    5.1112    0.0000 S   0  0
   -0.9298    4.9939    0.0000 C   0  0
   -1.2803    3.5354    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13062

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
SC-514

> <ctcr_id>
1461

> <supplier_cmpd_id>
T2118

> <smiles>
NC(=O)c1sc(cc1N)c2cscc2

> <pd_targets>
{MAPT,IKBKB,ALDH1A1}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,Kinase,Oxidoreductase,"Protein Kinase","Other protein kinase group","Other protein kinase IKK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","IKK family"}

> <pathway_reactome>
{"Neuronal System","Immune System",Metabolism,"Transmission across Chemical Synapses","Innate Immune System","Biological oxidations","Neurotransmitter receptors and postsynaptic signal transmission","
Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 4 (TLR4) Cascade","Ethanol oxidation","Post NMDA rece
ptor activation events","MyD88-independent TLR4 cascade","Activation of AMPK downstream of NMDARs","TRIF(TICAM1)-mediated TLR4 signaling","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{IKBKB}

> <broad_moa>
{"IKK inhibitor","SYK inhibitor"}

> <synonyms>
{C51,SC-514,SC514,354812-17-2,354812172,"Sc 514","4-Amino-(2,3'-bithiophene)-5-carboxamide","4Amino(2,3'bithiophene)5carboxamide",3-amino-5-thiophen-3-ylthiophene-2-carboxamide,3amino5thiophen3ylthiop
hene2carboxamide,3-amino-5-(thiophen-3-yl)thiophene-2-carboxamide,3amino5(thiophen3yl)thiophene2carboxamide,CHEMBL193093,3-amino-5-(3-thienyl)thiophene-2-carboxamide,3amino5(3thienyl)thiophene2carboxa
mide,3-amino-5-(3-thio,3amino5(3thio,T2118,3318,EI-343,S4907,"SC 514"}

> <pdid>
PD010663

> <targets>
{IKK,I??B/IKK,I?B/IKK,IKK2}

> <classes>
{NF-?B}

> <pubchem_cids>
{2807869}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -5.1047    0.0001    0.0000 C   0  0
   -4.4642   -1.3160    0.0000 N   0  0
   -5.5800   -2.3185    0.0000 C   0  0
   -6.8783   -1.5671    0.0000 C   0  0
   -6.5649   -0.1002    0.0000 C   0  0
   -5.8521    1.3006    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2947    3.7531    0.0000 N   0  0
    6.3039    0.7175    0.0000 Cl  0  0
    3.8039    0.7175    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 10 15  1  0
  3 16  1  0
 16 17  2  0
 16 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13063

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
Veliparib dihydrochloride

> <ctcr_id>
11414

> <supplier_cmpd_id>
T2105

> <smiles>
c1cc(c2c(c1)nc([nH]2)C1(NCCC1)C)C(=O)N.Cl.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{912445-04-6,912445046,SCHEMBL2368889,AKOS026750354,FT-0689280,FT0689280,T2105,"Veliparib dihydrochloride"}

> <pdid>

> <targets>
{PARP1,PARP2}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{25193407}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    5.2315    1.1941    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 S   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1510   -0.7161    0.0000 C   0  0
   -4.1703    0.3855    0.0000 C   0  0
   -3.7257    1.8181    0.0000 O   0  0
   -5.6342    0.0546    0.0000 O   0  0
   -6.6534    1.1562    0.0000 C   0  0
   -8.1165    0.8254    0.0000 C   0  0
   -7.6716    2.2577    0.0000 C   0  0
   -6.2088    2.5888    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 N   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    2.6401   -3.4480    0.0000 C   0  0
    0.7500   -1.5574    0.0000 N   0  0
    0.0000    3.2293    0.0000 C   0  0
    1.3386    3.9148    0.0000 C   0  0
    1.4153    5.4128    0.0000 C   0  0
    0.1563    6.2283    0.0000 C   0  0
    0.2330    7.7263    0.0000 Cl  0  0
   -1.1794    5.5457    0.0000 C   0  0
   -1.2561    4.0476    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    2.7740    3.3412    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22  4  1  0
 22 17  1  0
  6 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 23  1  0
  5 30  1  0
 30  2  2  0
 30 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13064

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
(+)-JQ-1

> <ctcr_id>
7894

> <supplier_cmpd_id>
T2110

> <smiles>
Cc1sc2c(C(=NC(CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C

> <pd_targets>
{BRD2,BRD3,BRD4,BRDT,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","Transcriptional regulation by RUNX3","Potential
 therapeutics for SARS","Transcriptional Regulation by TP53","RUNX3 regulates p14-ARF","TP53 Regulates Transcription of Cell Death Genes","TP53 Regulates Transcription of Genes Involved in Cytochrome 
C Release"}

> <broad_targets>
{BRD4,BRDT}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{26852471,1268524-71-5,1268524715,"(R)-(-)-JQ1 Enantiomer","(R)()JQ1 Enantiomer",(-)-JQ1,()JQ1,(-)-JQ-1,(R)-JQ1,(R)JQ1,LSM-6333,LSM6333,SCHEMBL881208,CHEMBL3220211,CHEBI:95081,EX-A463,EXA463,BDBM20542
9,2826AH,HY-13030A,HY13030A,MFCD22124456,ZINC71789385,AKOS025147026,CS-0646,CS0646,DS-8567,DS8567,SB17022,"(R)-JQ1 (3)","(R)JQ1 (3)",(?)-JQ-1,(?)JQ1,A8181,S,T2110,S7110,(+)-JQ-1,(+)-JQ1}

> <pdid>
PD000031

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{49871818}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
   -3.2310    0.3930    0.0000 C   0  0
   -3.2310   -1.9430    0.0000 C   0  0  2  0  0  0
   -4.5628   -2.3141    0.0000 C   0  0
   -3.8642   -1.1134    0.0000 N   0  0
   -2.4451   -0.7641    0.0000 C   0  0  1  0  0  0
   -1.2226   -1.1134    0.0000 C   0  0
   -1.8993   -2.3141    0.0000 N   0  0
   -1.3248   -3.7005    0.0000 C   0  0
   -2.1201   -4.9650    0.0000 C   0  0
   -1.4186   -6.2909    0.0000 C   0  0
    0.0804   -6.3463    0.0000 C   0  0
    0.8779   -5.0759    0.0000 C   0  0
    0.1764   -3.7500    0.0000 N   0  0
   -4.7899    0.0728    0.0000 C   0  0
   -6.2763   -0.1348    0.0000 C   0  0
   -7.2000    1.0480    0.0000 C   0  0
   -6.6373    2.4385    0.0000 O   0  0
   -8.6864    0.8405    0.0000 C   0  0
   -9.2468   -0.5510    0.0000 C   0  0
  -10.7319   -0.7615    0.0000 C   0  0
  -11.6568    0.4194    0.0000 C   0  0
  -11.0965    1.8109    0.0000 C   0  0
   -9.6113    2.0214    0.0000 C   0  0
   -9.0511    3.4128    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  6
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  4 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13065

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
PFI-3

> <ctcr_id>
12488

> <supplier_cmpd_id>
T6939

> <smiles>
C1[C@@H]2CN([C@H]1CN2c1ccccn1)/C=C/C(=O)c1ccccc1O

> <pd_targets>
{SMARCA4,PBRM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{"Other protein targets","Bromodomain-containing proteins","Non-enzymatic BRD containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 interacts with co-factors whose precise effect on RUNX
1 targets is not known"}

> <broad_targets>
{PBRM1,SMARCA4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{FI,PFI-3,PFI3,1819363-80-8,1819363808,"PFI 3",CHEMBL3752911,IN2080,PF-06687252,PF06687252,GTPL7915,SCHEMBL19730380,AOB2221,EX-A520,EXA520,CHEBI:149519,BCP10158,BDBM50158688,MFCD28100807,NSC783642,s73
15,ZINC96032872,AKOS024458481,CCG-267721,CCG267721,CS-3455,CS3455,LM-3110,LM3110,NSC-783642,">=98 (",T6939}

> <pdid>
PD000015

> <targets>
{SMARCA2,SMARCA4,"PB1(5) bromodomains"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{78243717}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 O   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13066

> <plate>
PLATE 001

> <well>
H6

> <supplier_cmpd_name>
WHI-P154

> <ctcr_id>
1254

> <supplier_cmpd_id>
T1985

> <smiles>
COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC

> <pd_targets>
{EGFR,JAK1,JAK3,JAK2,ABCG2,ABCB1}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","ABCG subfamily","ABCB subfamily","Tyrosine protein kinase EGFR family","Tyros
ine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,Transporters,"Catalytic receptors","ATP-binding cassette transporter family","Receptor kinases","ABCG subfamily","ABCB subfamily","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","N
on-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Cell Cycle",Metabolism,"Signaling by GPCR","Cytokine Signaling in Immune system",Mitotic,"Abacavir transport and metabolism","GPCR downstream signalling","Inter
feron Signaling","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Abacavir transmembrane transport","G alpha (q) signalling events","Antiviral mechanism by IFN-stimulated genes","In
terleukin-2 family signaling","G1 Phase","Gastrin-CREB signalling pathway via PKC and MAPK","ISG15 antiviral mechanism","Interleukin-15 signaling","Cyclin D associated events in G1","EGFR Transactivat
ion by Gastrin"}

> <broad_targets>
{EGFR,JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{HIP15,WHI-P154,WHIP154,211555-04-3,211555043,"WHI-P 154","WHIP 154","jak3 inhibitor ii","2-Bromo-4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol","2Bromo4((6,7dimethoxyquinazolin4yl)amino)phenol","2-br
omo-4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol","2bromo4((6,7dimethoxyquinazolin4yl)amino)phenol","2-Bromo-4-((6,7-dimethoxy-4-quinazolinyl)amino)phenol","2Bromo4((6,7dimethoxy4quinazolinyl)amino)p
henol",C16H14BrN3O3,CHEMBL473773,T1985,"EMD 420104",S2867,420104}

> <pdid>
PD010538

> <targets>
{JAK,EGFR}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{3795}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5795   -7.5047    0.0000 N   0  0
   -3.7887   -8.3707    0.0000 C   0  0
   -3.3180   -9.7949    0.0000 C   0  0
   -1.8180   -9.7874    0.0000 C   0  0
   -1.3617   -8.3584    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13067

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
UNC669

> <ctcr_id>
6911

> <supplier_cmpd_id>
T2252

> <smiles>
Brc1cncc(c1)C(=O)N2CCC(CC2)N3CCCC3

> <pd_targets>
{L3MBTL3,L3MBTL1,L3MBTL4}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,"Methyl-lysine/arginine binding protein","MBT domain"}

> <pathway_chembl>
{"Other protein targets","Chromatin-interacting transcriptional repressors","Methyllysine reader proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{L3MBTL1}

> <broad_moa>
{"L3MBTL antagonist"}

> <synonyms>
{3-Bromo-5-((4-Pyrrolidin-1-Ylpiperidin-1-Yl)carbonyl)pyridine,3Bromo5((4Pyrrolidin1Ylpiperidin1Yl)carbonyl)pyridine,1314241-44-5,1314241445,UNC669,"UNC 669",UNC-669,(5-bromopyridin-3-yl)(4-(pyrrolidi
n-1-yl)piperidin-1-yl)methanone,(5bromopyridin3yl)(4(pyrrolidin1yl)piperidin1yl)methanone,CHEMBL1235119,(5-bromo-3-pyridinyl)-(4-(1-pyrrolidinyl)-1-piperidinyl)methanone,(5bromo3pyridinyl)(4(1pyrrolid
inyl)1piperidinyl)methanone,ML,T2252,S7373}

> <pdid>
PD010329

> <targets>
{MBT,"Epigenetic Reader Domain"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{46931242}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5017    0.0000 C   0  0
    0.0095   -9.0017    0.0000 N   0  0
    1.3026   -5.2488    0.0000 C   0  0
    2.6028   -5.9967    0.0000 O   0  0
    1.3002   -3.7488    0.0000 N   0  0
   -2.5939   -6.0054    0.0000 C   0  0
   -3.8955   -5.2596    0.0000 C   0  0
   -5.1921   -6.0137    0.0000 C   0  0
   -5.1873   -7.5137    0.0000 C   0  0
   -3.8859   -8.2595    0.0000 C   0  0
   -2.5893   -7.5054    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  3  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17  9  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13068

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
TCS PIM-1 1

> <ctcr_id>
2412

> <supplier_cmpd_id>
T2253

> <smiles>
Oc1ccc(Br)cc1C2=CC(=C(C#N)C(=O)N2)c3ccccc3

> <pd_targets>
{PIM1,BIRC5}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)","Inhibitors of apoptosis (IAP) protein family","CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"FLT3 signaling in disease","M Phase","Signaling by FLT3 ITD and TKD mutants","Mitotic 
Metaphase and Anaphase","STAT5 activation downstream of FLT3 ITD mutants","Mitotic Anaphase","Separation of Sister Chromatids"}

> <broad_targets>
{PIM1}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{"TCS PIM-1 1","TCS PIM1 1",491871-58-0,491871580,CHEMBL391586,CHEBI:86453,MFCD00276275,3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone,3Cyano4phenyl6(3bromo6hydroxy)phenyl2(1H)pyridone,6-
(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile,6(5bromo2hydroxyphenyl)2oxo4phenyl1Hpyridine3carbonitrile,C18H11BrN2O2,3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphen,3cyano4phenyl6(3bro
mo6hydroxyphen,T2253,"EMD 526520",526520}

> <pdid>
PD004196

> <targets>
{"PIM1 Kinase Inhibitor II",Pim}

> <classes>
{JAK/STAT Signaling}

> <pubchem_cids>
{1235170}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 C   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7864   -1.5148    0.0000 C   0  0
   -7.7841   -3.0149    0.0000 C   0  0
   -9.0819   -3.7670    0.0000 C   0  0
  -10.3821   -3.0191    0.0000 C   0  0
  -10.3846   -1.5191    0.0000 C   0  0
   -9.0867   -0.7670    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 19 28  2  0
 28  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13069

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
ENMD-2076

> <ctcr_id>
7085

> <supplier_cmpd_id>
T2358

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccccc4)n2

> <pd_targets>
{RET,CSF1R,AURKB,SRC,FLT3,PTK2,ABL1,KDR,AURKA,PDGFRA,KIT,FGFR1,FGFR3,MAP2K1,TBK1,PLK4,MAP4K4,LRRK2,LIMK1,CHEK1,NTRK1,MINK1,IRAK1,PRKCG,BTK,NTRK3,PRKAA1,RPS6KB1,HIPK2,DYRK1B,ROS1,PAK4,PTK6,NTRK2,FLT1,I
NSR,EPHA2,IKBKE,MAP2K2,MAP4K2,SLK,MAP4K5,STK3,GSK3A,GSK3B,FER,SYK,MST1R,TNK2,PDGFRB,TAOK1,TYK2,DAPK3,BLK,PAK1,JAK2,FRK,LCK,CLK4,CDK7,PDPK1,BRSK1,RPS6KA3,STK17A,MARK3,ITK,ACVR1,JAK3,HIPK4,IRAK4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","CAMK protein kinase group","AGC protein kinase group","CMG
C protein kinase group","Tyrosine protein kinase Ret family","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Fak 
family","Tyrosine protein kinase Abl family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase FGFR family","STE protein kinase STE7 family","Other protein kinase IKK family","Other prot
ein kinase PLK family","STE protein kinase STE20 family","TKL protein kinase LRRK family","TKL protein kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Trk family","TKL 
protein kinase IRAK family","AGC protein kinase PKC family","Tyrosine protein kinase Tec family","AGC protein kinase RSK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Sev family",
"Tyrosine protein kinase InsR family","Tyrosine protein kinase Eph family","CMGC protein kinase GSK family","Tyrosine protein kinase Fer family","Tyrosine protein kinase Syk family","Tyrosine protein 
kinase Met family","Tyrosine protein kinase Ack family","Tyrosine protein kinase JakA family","CAMK protein kinase DAPK family","CMGC protein kinase CLK family","CMGC protein kinase CDK family","AGC p
rotein kinase PDK1 subfamily","TKL protein kinase STKR family","STE protein kinase MSN subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","AGC protein kinase PKC alpha
 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase Dyrk1 subfamily","STE protein kinase PAKB subfamily","STE 
protein kinase KHS subfamily","STE protein kinase SLK subfamily","STE protein kinase MST subfamily","STE protein kinase TAO subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase CDK7 sub
family","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kina
ses","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","STE7 family","STE20 family","TKL: Tyrosine kinase-like","CA
MK-like (CAMKL) family","Protein kinase C (PKC) family","RSK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Glycogen synthase kinase (GSK) family","Death-assoc
iated kinase (DAPK) family","CLK family","Cyclin-dependent kinase (CDK) family","PDK1 family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","I
KK family","Polo-like kinase (PLK) family","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","LIM domain kinase (LISK) family","CHK1 subfamily","Interleukin-1 receptor-associated kinase (IRAK
) family","Alpha subfamily","AMPK subfamily","p70 subfamily","HIPK subfamily","Dyrk1 subfamily","PAKB subfamily","KHS subfamily","SLK subfamily","MST subfamily","GSK subfamily","TAO subfamily","PAKA s
ubfamily","CDK7 subfamily","BRSK subfamily","RSK subfamily","MARK subfamily","Receptor serine/threonine kinase (RSTK) family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family
","Src family","Fak family","Abl family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","LIMK subfamily","Type 
VII RTKs: Neurotrophin receptor/Trk family","Tec family","Type XVII RTKs: ROS receptors","Type II RTKs: Insulin receptor family","Type XIII RTKs: Ephrin receptor family","Fer family","Syk family","Typ
e X RTKs: HGF (hepatocyte growth factor) receptor family","Ack family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Cell Cycle","Signal Transduction",Disease,"Immune System","Cellular responses to external stimuli","DNA Repair","Neuronal System","Programme
d Cell Death","Nervous system development","RNA Polymerase II Transcription",Mitotic,"Signaling by Receptor Tyrosine Kinases","Infectious disease","Diseases of signal transduction by growth factor rec
eptors and second messengers","Innate Immune System","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","DNA Double-Strand Break Repair","Transmission across Chemical Synapses
","MTOR signalling","Intracellular signaling by second messengers","Signaling by Hippo","Cytokine Signaling in Immune system",Apoptosis,"Adaptive Immune System","Axon guidance","Generic Transcription 
Pathway","M Phase","Signaling by NTRKs","Signaling by Insulin receptor","Leishmania infection","Signaling by VEGF","Signaling by PDGFR in disease","Signaling by KIT in disease","Signaling by FGFR in d
isease","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Cellular Senescence","Signaling by PTK6","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","m
TORC1-mediated signalling","Mitotic G1 phase and G1/S transition","PIP3 activates AKT signaling","SARS-CoV Infections","Signaling by SCF-KIT","Signaling by MST1","Interferon Signaling","Caspase activa
tion via extrinsic apoptotic signalling pathway","HIV Infection","Oncogenic MAPK signaling","TCR signaling","Signaling by Interleukins","RET signaling","Transcriptional Regulation by VENTX","Mitotic M
etaphase and Anaphase","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Parasite infection","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Drug resistance of PDGFR muta
nts","Drug resistance of KIT mutants","Signaling by FGFR1 in disease","Signaling by FGFR3 in disease","Toll Like Receptor 4 (TLR4) Cascade","G2/M Transition","Oxidative Stress Induced Senescence","PTK
6 promotes HIF1A stabilization","Semaphorin interactions","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 5 (TLR5) Cascade","Glutamate binding","activ
ation of AMPA receptors and synaptic plasticity","Signaling by NTRK3 (TRKC)","Signaling by ROBO receptors","G1 Phase","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network",
"EPH-Ephrin signaling","SARS-CoV-1 Infection","Leishmania parasite growth and survival","Interferon alpha/beta signaling","Caspase activation via Dependence Receptors in the absence of ligand","Transc
riptional regulation by RUNX1","PTEN Regulation","Host Interactions of HIV factors","HIV Life Cycle","Signaling by RAS mutants","Generation of second messenger molecules","Interleukin-2 family signali
ng","Toll Like Receptor 2 (TLR2) Cascade","Mitotic Anaphase","Signalling to ERKs","IRS-mediated signalling","Leishmania phagocytosis","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity"
,"Imatinib-resistant PDGFR mutants","Dasatinib-resistant KIT mutants","FGFR1 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","MyD88-independent TLR4 cascade","Centrosome matur
ation","Sema4D in semaphorin signaling","HDR through Homologous Recombination (HRR)","MyD88 cascade initiated on plasma membrane","Trafficking of AMPA receptors","Activated NTRK3 signals through PI3K"
,"Activation of RAC1","Cyclin D associated events in G1","Activation of TRKA receptors","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EPHA-me
diated growth cone collapse","SARS-CoV-1 Genome Replication and Transcription","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of IFNA signaling","RUNX1 regulates tran
scription of genes involved in BCR signaling","EPHB-mediated forward signaling","Regulation of PTEN stability and activity","The role of Nef in HIV-1 replication and disease pathogenesis","Late Phase 
of HIV Life Cycle","Signaling downstream of RAS mutants","Interleukin-15 signaling","Toll Like Receptor TLR6:TLR2 Cascade","Separation of Sister Chromatids","Signalling to RAS","PI3K Cascade","FCGR3A-
mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Prolonged ERK activation events","TRIF(
TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairin
g and Strand Exchange","MAP kinase activation","Trafficking of GluR2-containing AMPA receptors","NGF-independant TRKA activation","Replication of the SARS-CoV-1 genome","FCGR3A-mediated IL10 synthesis
","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","MyD88:MAL(TIRAP) c
ascade initiated on plasma membrane","p38MAPK events","Signaling by activated point mutants of FGFR3","Frs2-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Loss of Nlp fro
m mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","HI
V Transcription Elongation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Formation 
of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ENMD-2076,ENMD2076,934353-76-1,934353761,"ENMD 2076",ENMD-981693,ENMD981693,UNII-J6U9WP10T7,UNIIJ6U9WP10T7,CHEMBL482968,J6U9WP10T7,"934353-76-1 (free base)","934353761 (free base)",ENND-2076,ENND2076
,1291074-87-7,1291074877,cc-471,cc471,MLS006011042,SCHEMBL596481,GTPL7885,SCHEMBL10122872,SCHEMBL15668060,DTXSID60239430,EX-A235,EXA235,AOB8715,T2358,S1181}

> <pdid>
PD011101

> <targets>
{Flt,VEGFR,"Aurora Kinase"}

> <classes>
{}

> <pubchem_cids>
{16041424}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 N   0  0
    1.2443   -5.8182    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8074   -5.7196    0.0000 O   0  0
    4.0559   -4.4171    0.0000 N   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0629   -7.0113    0.0000 O   0  0
    8.5638   -7.0091    0.0000 C   0  0
    9.3184   -8.3055    0.0000 C   0  0
   10.8184   -8.3003    0.0000 C   0  0
   11.5638   -6.9986    0.0000 C   0  0
   10.8093   -5.7022    0.0000 C   0  0
    9.3093   -5.7074    0.0000 C   0  0
   13.0647   -6.9903    0.0000 C   0  0
   13.8214   -8.2854    0.0000 O   0  0
   13.8087   -5.6869    0.0000 N   0  0
   15.3087   -5.6786    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  5  1  0
 13  8  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13070

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
PCI-24781

> <ctcr_id>
1209

> <supplier_cmpd_id>
T0431

> <smiles>
CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc3ccc(cc3)C(=O)NO

> <pd_targets>
{HDAC8,HDAC10,HDAC6,HDAC1,HDAC3,HDAC2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Gene expression (Transcription)",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Disorders of Devel
opmental Biology","M Phase","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Disorders of Nervous System Development","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Doma
in Mutants in Cancer","Transcriptional regulation by RUNX2","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain
 Mutants","RUNX2 regulates bone development","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","
Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the NCoR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC6}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{CI2478,ABEXINOSTAT,PCI-24781,PCI24781,783355-60-2,783355602,CRA-024781,CRA024781,"PCI 24781",CRA-02478,CRA02478,"CRA 024781","Abexinostat (PCI-24781)","Abexinostat (PCI24781)",UNII-IYO470654U,UNIIIYO
470654U,"PCI-24781 (CRA-024781)","PCI24781 (CRA024781)",IYO470654U,S78454,"CRA 24781","Abexinostat (USAN:INN)","Abexinostat (USAN)",Abe,T0431,S1090,"PCI-24781 (Abexinostat)"}

> <pdid>
PD011147

> <targets>
{"HDAC Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{11749858}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    6.0344    8.8940    0.0000 C   0  0
    5.6832    7.4357    0.0000 C   0  0
    6.7704    6.4012    0.0000 C   0  0  2  0  0  0
    7.8571    5.3671    0.0000 C   0  0
    8.2099    6.8259    0.0000 C   0  0
    9.2965    5.7919    0.0000 O   0  0
    8.5627    8.2847    0.0000 N   0  0
   10.0022    8.7094    0.0000 C   0  0
   10.3550   10.1682    0.0000 C   0  0
   11.7936   10.5927    0.0000 F   0  0
   10.7069   11.6263    0.0000 F   0  0
    9.2683   11.2022    0.0000 F   0  0
    6.4176    4.9424    0.0000 N   0  0
    4.9781    4.5176    0.0000 C   0  0
    4.6234    3.0602    0.0000 N   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.0990    3.6745    0.0000 N   0  0
    2.4537    5.1320    0.0000 C   0  0
    3.8933    5.5535    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  3 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 20  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13071

> <plate>
PLATE 001

> <well>
H11

> <supplier_cmpd_name>
Decernotinib

> <ctcr_id>
11520

> <supplier_cmpd_id>
T2636

> <smiles>
CC[C@](C)(C(=O)NCC(F)(F)F)Nc1nc(ncc1)c1c[nH]c2c1cccn2

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Interleukin-2 family signaling","
Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Interleukin-15 signaling","ISG15 antiviral mechanism","Cyclin D associated events in G1","Regulation of IFNA 
signaling"}

> <broad_targets>
{JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Decernotinib,944842-54-0,944842540,"944842 54 0",Adelatinib,VX-509,VX509,"VX 509","Decernotinib (VX-509)","Decernotinib (VX509)","Decernotinib (VX 509)",UNII-MZK2GP0RHK,UNIIMZK2GP0RHK,"UNII MZK2GP0RH
K",Decernotinib(VX-509),Decernotinib(VX509),T2636}

> <pdid>
PD016973

> <targets>
{JAK,JAK1,JAK2,JAK3,Tyk2}

> <classes>
{Angiogenesis,"Tyrosine Kinase/Adaptors",Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{59422203}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    5.1065    0.0000    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.1904    2.6376    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1271    4.3729    0.0000 C   0  0
    6.5954    4.6799    0.0000 C   0  0
    7.5954    3.5619    0.0000 C   0  0
    9.0651    3.8662    0.0000 O   0  0
   10.0635    2.7467    0.0000 C   0  0
    7.1272    2.1369    0.0000 C   0  0
    5.6590    1.8298    0.0000 C   0  0
    2.1880    3.7544    0.0000 C   0  0
    2.6517    5.1810    0.0000 C   0  0
    1.6482    6.2959    0.0000 C   0  0
    0.1809    5.9844    0.0000 C   0  0
   -0.8254    7.0978    0.0000 O   0  0
   -2.2922    6.7841    0.0000 C   0  0
   -0.2829    4.5579    0.0000 C   0  0
    0.7206    3.4429    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15  8  1  0
  7 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 23 16  1  0
  5 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  4  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13072

> <plate>
PLATE 002

> <well>
A2

> <supplier_cmpd_name>
TAS-301

> <ctcr_id>
11887

> <supplier_cmpd_id>
T2441

> <smiles>
O=C1Nc2c(C1=C(c1ccc(OC)cc1)c1ccc(OC)cc1)cccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AS30,TAS-301,TAS301,193620-69-8,193620698,"Tas 301",3-(BIS(4-METHOXYPHENYL)METHYLIDENE)-1H-INDOL-2-ONE,3(BIS(4METHOXYPHENYL)METHYLIDENE)1HINDOL2ONE,"3-(Bis(4-methoxyphenyl)methylene)-1,3-dihydro-2H-i
ndol-2-one","3(Bis(4methoxyphenyl)methylene)1,3dihydro2Hindol2one",MFCD05865245,3-bis(4-Methoxyphenyl)methylene-2-indolinone,3bis(4Methoxyphenyl)methylene2indolinone,3-Bis-(4-methoxphenyl)methylene-2-
indo,3Bis(4methoxphenyl)methylene2indo,T2441}

> <pdid>
PD012276

> <targets>
{PKC}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{9885087}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 44 47  0  0  1  0            999 V2000
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    1.2820   -8.2493    0.0000 C   0  0
   -0.0203   -8.9953    0.0000 C   0  0
   -1.3226   -9.7412    0.0000 C   0  0
   -2.6203   -8.9871    0.0000 N   0  0
   -3.9230   -9.7307    0.0000 C   0  0
   -5.2184   -8.9744    0.0000 C   0  0
   -5.2111   -7.4744    0.0000 O   0  0
   -3.9084   -6.7308    0.0000 C   0  0
   -2.6131   -7.4871    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    6.4780   -8.2700    0.0000 N   0  0
    7.7832   -7.5290    0.0000 C   0  0
    9.0772   -8.2876    0.0000 C   0  0
    6.4707   -9.7708    0.0000 C   0  0  1  0  0  0
    7.7645  -10.5298    0.0000 C   0  0
    7.7541  -12.0298    0.0000 C   0  0
    6.4500  -12.7708    0.0000 C   0  0  2  0  0  0
    6.4365  -14.2716    0.0000 N   0  0
    5.1305  -15.0111    0.0000 C   0  0
    5.1171  -16.5119    0.0000 C   0  0
    3.8111  -17.2514    0.0000 O   0  0
    3.7976  -18.7514    0.0000 C   0  0
    7.7290  -15.0328    0.0000 C   0  0
    5.1561  -12.0118    0.0000 C   0  0
    5.1665  -10.5119    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    6.4893   -5.2669    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12  5  1  0
 12 13  2  0
  2 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  3  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 16 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 31 28  1  1
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  6
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 35 40  1  0
 34 41  1  0
 41 42  1  0
 42 31  1  0
 27 43  2  0
 43 14  1  0
 43 44  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13073

> <plate>
PLATE 002

> <well>
A3

> <supplier_cmpd_name>
EPZ011989

> <ctcr_id>
12564

> <supplier_cmpd_id>
T2435

> <smiles>
O=C(NCc1c(C)cc(C)[nH]c1=O)c1cc(C#CCN2CCOCC2)cc(N(CC)[C@H]2CC[C@H](N(CCOC)C)CC2)c1C

> <pd_targets>
{EZH2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{EPZ011989,1598383-40-4,1598383404,EPZ-011989,EPZ011969,GTPL9273,CHEMBL3672841,SCHEMBL15647410,SCHEMBL15700498,SCHEMBL16460838,AOB87382,BCP15987,EX-A1583,EXA1583,NSC795999,NSC809099,AKOS026750484,AKOS
027339815,ZINC207506284,ZINC253497322,CS-4592,CS4592,"EPZ 011989",NSC-79,NSC79,T2435}

> <pdid>
PD013051

> <targets>
{EZH2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{73670548}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    4.0524   -4.4217    0.0000 C   0  0
    2.5524   -4.4208    0.0000 C   0  0
    1.8019   -5.7196    0.0000 C   0  0
    3.3017   -5.7202    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 F   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14  8  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 15  1  0
 21 22  2  0
 22  7  1  0
 22 23  1  0
 23  5  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13074

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
Pyridone 6

> <ctcr_id>
3888

> <supplier_cmpd_id>
T3080

> <smiles>
CC(C)(C)c1[nH]c2c3ccc(F)cc3c4C(=O)NC=Cc4c2n1

> <pd_targets>
{PDGFRA,PDGFRB,MAP2K2,MAPK9,JAK3,JAK2,CDK2,PRKCA,MAPK11,MAPK12,MAPK13,MAPK14,FGFR2,MST1R,NTRK3,MAPK8,PRKACA,ROCK1,TEK,TBK1,JAK1,TYK2,FYN,MAPK1,MAPK3,LTK,CHEK1,PTK2,AKT1,PDPK1,IKBKB,CSK,FLT1,FGFR1,FGFR
3,FGFR4,RPS6KA3,IKBKE,GRK5,PRKD3,LRRK2,CLK4,HCK,KDR,ALK,RET,AURKB,PIM1,NTRK2,FLT4,DAPK3,MAP4K2,MAP2K1,PRKCQ,PRKAA1,TNK2,MELK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","CMGC protein kinase group","AGC protein kinase group","Other protein kinase group","CAMK protein kinase group","TK
L protein kinase group","Tyrosine protein kinase PDGFR family","STE protein kinase STE7 family","CMGC protein kinase MAPK family","Tyrosine protein kinase JakA family","CMGC protein kinase CDK family"
,"AGC protein kinase PKC family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Trk family","AGC protein kinase PKA family","AGC protein kinase DMP
K family","Tyrosine protein kinase Tie family","Other protein kinase IKK family","Tyrosine protein kinase Src family","Tyrosine protein kinase Alk family","CAMK protein kinase CAMK1 family","Tyrosine 
protein kinase Fak family","AGC protein kinase AKT family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Csk family","Tyrosine protein kinase VEGFR family","AGC protein kinase RSK famil
y","AGC protein kinase GRK family","CAMK protein kinase PKD family","TKL protein kinase LRRK family","CMGC protein kinase CLK family","TKL protein kinase STKR family","Tyrosine protein kinase Ret fami
ly","Other protein kinase AUR family","CAMK protein kinase PIM family","CAMK protein kinase DAPK family","STE protein kinase STE20 family","Tyrosine protein kinase Ack family","CMGC protein kinase JNK
 subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase PKC alpha subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subfamily","Tyrosine protein kinase SrcA","CMGC p
rotein kinase ERK1","CAMK protein kinase CHK1 subfamily","AGC protein kinase RSK subfamily","AGC protein kinase GRK subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase KHS subfam
ily","AGC protein kinase PKC delta subfamily","CAMK protein kinase AMPK subfamily","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases",
"AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","STE7 family","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","Cyclin-dependent ki
nase (CDK) family","Protein kinase C (PKC) family","Protein kinase A (PKA) family","DMPK family","Other protein kinases","CAMK-like (CAMKL) family","Akt (Protein kinase B","PKB) family","PDK1 family",
"RSK family","G protein-coupled receptor kinases (GRKs)","Protein kinase D (PKD) family","TKL: Tyrosine kinase-like","CLK family","PIM family","Death-associated kinase (DAPK) family","STE20 family","J
NK subfamily","Non-receptor tyrosine kinases (nRTKs)","CDK1 subfamily","Delta subfamily","Receptor tyrosine kinases (RTKs)","Rho kinase","IKK family","CHK1 subfamily","RSK subfamily","GRK4 subfamily",
"Leucine-rich repeat kinase (LRRK) family","Aurora kinase (Aur) family","KHS subfamily","AMPK subfamily","MELK subfamily","Janus kinase (JakA) family","Type V RTKs: FGF (fibroblast growth factor) rece
ptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XII RTKs: TIE family of angiopoietin receptors","Src family","Type XI
X RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family","Csk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIV RTKs: RET","Ack family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Cell Cycle","Gene expression (Transcription)",Disease,"Developmental Biology","DNA Repair",Metabolism,"Programmed Cell Death","Signaling by Receptor Tyrosine Ki
nases","Innate Immune System","Cytokine Signaling in Immune system",Mitotic,"RNA Polymerase II Transcription","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second
 messengers","Nervous system development","MAPK family signaling cascades","Infectious disease","DNA Double-Strand Break Repair","Metabolism of lipids","Signaling by Non-Receptor Tyrosine Kinases",Apo
ptosis,"Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","GPCR downstream signalling","Signaling by 
FGFR in disease","Signaling by MST1","Mitotic G2-G2/M phases","Axon guidance","MAPK1/MAPK3 signaling","Interferon Signaling","HIV Infection","Homology Directed Repair","Leishmania infection","Oncogeni
c MAPK signaling","Signaling by VEGF","Sphingolipid metabolism","Signaling by PTK6","M Phase","FLT3 signaling in disease","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by 
NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-2 family signaling","G1 Phase","Transcriptional Regulation by TP53","G alpha (i) signalling events","Signaling by FGFR2 in disease","Si
gnaling by NTRK3 (TRKC)","G2/M Transition","Semaphorin interactions","RAF/MAP kinase cascade","Toll Like Receptor 4 (TLR4) Cascade","Antiviral mechanism by IFN-stimulated genes","Interferon alpha/beta
 signaling","Host Interactions of HIV factors","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Parasite infection","Signaling by RAS mutants","VEGF ligand-receptor inter
actions","G alpha (q) signalling events","Sphingolipid de novo biosynthesis","PTK6 promotes HIF1A stabilization","VEGFA-VEGFR2 Pathway","RET signaling","Mitotic Metaphase and Anaphase","Signaling by F
LT3 ITD and TKD mutants","Caspase activation via Dependence Receptors in the absence of ligand","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Interleukin-15 signaling","Cyclin D a
ssociated events in G1","Regulation of TP53 Activity","Visual phototransduction","FGFR2 mutant receptor activation","Activated NTRK3 signals through PI3K","Centrosome maturation","Sema4D in semaphorin
 signaling","MyD88-independent TLR4 cascade","ISG15 antiviral mechanism","Regulation of IFNA signaling","The role of Nef in HIV-1 replication and disease pathogenesis","HDR through Homologous Recombin
ation (HRR)","Leishmania phagocytosis","Signaling downstream of RAS mutants","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","Mitotic Anaphase","STAT5 activ
ation downstream of FLT3 ITD mutants","Activation of TRKA receptors","Prolonged ERK activation events","MAP kinase activation","Regulation of TP53 Expression and Degradation","The phototransduction ca
scade","Activated point mutants of FGFR2","Loss of proteins required for interphase microtubule organization from the centrosome","Sema4D induced cell migration and growth-cone collapse","TRIF(TICAM1)
-mediated TLR4 signaling","Nef and signal transduction","Homologous DNA Pairing and Strand Exchange","FCGR3A-mediated phagocytosis","Separation of Sister Chromatids","NGF-independant TRKA activation",
"Regulation of TP53 Activity through Phosphorylation","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation",Inactivation,"recovery and regu
lation of the phototransduction cascade","Loss of Nlp from mitotic centrosomes","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Presynaptic phase of homologous DNA pairing and strand exchange"
,"IKK complex recruitment mediated by RIP1","Activation of the AP-1 family of transcription factors","CREB phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pyridone 6",457081-03-7,457081037,"JAK Inhibitor I",Merck-5,Merck5,"CMP 6","Merck 5",CMP-6,CMP6,"2-tert-butyl-9-fluoro-3H-benzo(h)imidazo(4,5-f)isoquinolin-7(6H)-one","2tertbutyl9fluoro3Hbenzo(h)imi
dazo(4,5f)isoquinolin7(6H)one",CHEMBL21156,CHEBI:87103,"Compound # 2",2-tert-butyl-9-fluoro-1,2tertbutyl9fluoro1,6-dihydrobenzo(h)imidazo(4,6dihydrobenzo(h)imidazo(4,5-f)isoq,5f)isoq,T3080,"EMD 420099
",420099}

> <pdid>
PD005877

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5494425}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    2.5891   -7.5025    0.0000 C   0  0
    2.5915   -6.0025    0.0000 C   0  0
    3.8919   -5.2533    0.0000 S   0  0
    5.1900   -6.0050    0.0000 O   0  0
    3.8903   -6.7533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 N   0  0
    1.3070    9.7503    0.0000 C   0  0
    0.0079    7.5003    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 N   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.8417   -6.7626    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 14 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 29  1  0
 35 36  1  0
 36 12  1  0
 36 27  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13075

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
TAK901

> <ctcr_id>
1061

> <supplier_cmpd_id>
T2709

> <smiles>
CC[S](=O)(=O)c1cccc(c1)c2cc(C(=O)NC3CCN(C)CC3)c(C)c4[nH]c5ncc(C)cc5c24

> <pd_targets>
{AURKA,TPX2,AURKB,INCENP}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids"}

> <broad_targets>
{AURKB}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{TAK-901,TAK901,934541-31-8,934541318,"TAK 901",UNII-DM9UIR23R7,UNIIDM9UIR23R7,DM9UIR23R7,C28H32N4O3S,cc-11,cc11,MLS006010174,SCHEMBL645679,CHEMBL3544932,DTXSID70583097,EX-A874,EXA874,HMS3656F17,TAK-9
01/TAK901/,TAK901/TAK901/,ABP000125,MFCD18782651,NSC762151,NSC803712,s2718,ZINC35310420,AKOS005266666,T2709,S2718}

> <pdid>
PD010873

> <targets>
{"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{16124208}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   12.1347   -0.9886    0.0000 H   0  3
    9.6347   -0.9886    0.0000 Cl  0  5
    2.5983   -3.0004    0.0000 O   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    5.1522   -1.5883    0.0000 C   0  0
    6.5858   -1.1471    0.0000 C   0  0
    7.1347    0.2489    0.0000 C   0  0
    6.3855    1.5484    0.0000 N   0  0
    4.9024    1.7729    0.0000 C   0  0
    3.8022    0.7533    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  2  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  6  1  0
  4 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13076

> <plate>
PLATE 002

> <well>
A6

> <supplier_cmpd_name>
Fasudil hydrochloride

> <ctcr_id>
4951

> <supplier_cmpd_id>
T3060

> <smiles>
[H+].[Cl-].O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23

> <pd_targets>
{ROCK2,ROCK1,HTT,PRKCD,CDK8,PRKACA,RPS6KA3,AURKB,PRKX,PRKCG,PRKCE,CYP3A4,CYP2D6,PRKCQ,PRKD2,MAP4K4,LRRK2,DAPK3,PRKG1,PRKACB,PRKACG,PKN2,LEF,MYLK,KCNH2,SGK2,CDK5,PRKD3,CLK4,CDK7,RPS6KB1,KMT2A,MEN1,AKT1
,SMN1,AKT3,PKN1,CHEK2,STK33,CCR2,RPS6KA5,CCL2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel","Epigenetic regulator","Membrane receptor",Kinase,"Cytochrome P450",Protease,"Voltage-gated ion channel",Reader,"Family A G protein-coupled receptor","Prot
ein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 2","Metallo protease","Potassium channels",Bromodomain,"Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","AGC p
rotein kinase group","CMGC protein kinase group","Other protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 2D","CAMK protein kinase group","STE protein kinase group","TKL protei
n kinase group","Metallo protease MAE clan","Voltage-gated potassium channel","Tudor domain","Chemokine receptor","AGC protein kinase DMPK family","AGC protein kinase PKC family","CMGC protein kinase 
CDK family","AGC protein kinase PKA family","AGC protein kinase RSK family","Other protein kinase AUR family","Cytochrome P450 3A4","Cytochrome P450 2D6","CAMK protein kinase PKD family","STE protein 
kinase STE20 family","TKL protein kinase LRRK family","CAMK protein kinase DAPK family","AGC protein kinase PKG family","AGC protein kinase PKN family","Metallo protease M34 family","CAMK protein kina
se MLCK family","AGC protein kinase SGK family","CMGC protein kinase CLK family","AGC protein kinase AKT family","CAMK protein kinase RAD53 family","CAMK protein kinase unique family","CC chemokine re
ceptor","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase CDK8 subfamily","AGC protein kinase RSK subfamily","AGC protein kinase PKC alpha subfamily","A
GC protein kinase PKC eta subfamily","STE protein kinase MSN subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK7 subfamily","AGC protein kinase p70 subfamily","AGC protein kinase
 MSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","AGC: Containing PKA",PKG,"PKC families","CM
GC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CYP3 family","CYP2 family: drug metabolising subset","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Steri
le 7","Sterile 11","Sterile 20 kinases","Potassium channels","Chemokine receptors","DMPK family","Protein kinase C (PKC) family","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family",
"RSK family","Other protein kinases","Protein kinase D (PKD) family","STE20 family","TKL: Tyrosine kinase-like","Death-associated kinase (DAPK) family","Protein kinase G (PKG) family","Protein kinase 
N (PKN) family","Myosin Light Chain Kinase (MLCK) family","Voltage-gated potassium channels","SGK family","CLK family","Akt (Protein kinase B","PKB) family","CAMK-like (CAMKL) family","CAMK-unique fam
ily","Rho kinase","Delta subfamily","CDK8 subfamily","RSK subfamily","Aurora kinase (Aur) family","Alpha subfamily","Eta subfamily","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","CDK5 sub
family","CDK7 subfamily","p70 subfamily","CHK1 subfamily","MSK subfamily"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Signal Transduction",Disease,"Cell Cycle","Immune System","Neuronal System",Metabolism,"Cellular responses to external stimuli","Programmed 
Cell Death",Hemostasis,"Muscle contraction","Transport of small molecules","Metabolism of RNA","Nervous system development","RNA Polymerase II Transcription","Intracellular signaling by second messeng
ers","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Innate Immune System","Infectious disease","Transmission across Chemical Synapses","Metabolism of lipid
s","Biological oxidations","Signaling by GPCR","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases",Apoptosis,"Platelet homeostasis","Signaling by Rho GTPases","Cardiac conducti
on","Ion channel transport","MTOR signalling","Metabolism of non-coding RNA","Axon guidance","Generic Transcription Pathway","DAG and IP3 signaling","Signaling by NOTCH1 in Cancer","Mitotic G2-G2/M ph
ases","Toll-like Receptor Cascades","M Phase","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Fcgamma receptor (FCGR) dependent phagocytosis","Biosynthesis of
 specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","GPCR downstream signalling","Sphingolipid metabolism","Cellular Senescence","Signaling by PTK6","Caspase activat
ion via extrinsic apoptotic signalling pathway","Nitric oxide stimulates guanylate cyclase","RHO GTPase Effectors","Uptake and actions of bacterial toxins","Phase 3 - rapid repolarisation","Stimuli-se
nsing channels","HIV Infection","mTORC1-mediated signalling","snRNP Assembly","GPCR ligand binding","Semaphorin interactions","Transcriptional Regulation by MECP2","CaM pathway","Signaling by NOTCH1 H
D+PEST Domain Mutants in Cancer","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Glutamate binding","activation of A
MPA receptors and synaptic plasticity","Role of phospholipids in phagocytosis","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G alpha (i) signalling events","Sphing
olipid de novo biosynthesis","Oxidative Stress Induced Senescence","PTK6 promotes HIF1A stabilization","Caspase activation via Dependence Receptors in the absence of ligand","cGMP effects","RHO GTPase
s activate PKNs","Uptake and function of anthrax toxins","RHO GTPases activate PAKs","Transcriptional Regulation by TP53","HIV Life Cycle","Class A/1 (Rhodopsin-like receptors)","Sema4D in semaphorin 
signaling","Regulation of MECP2 expression and activity","Calmodulin induced events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Centrosome maturation","MyD88 cascade initiated on plasm
a membrane","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Trafficking of AMPA receptors","Biosynthesis of maresins",Xenobiotics,"Visual phototransduction","R
egulation of TP53 Activity","Late Phase of HIV Life Cycle","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Peptide ligand-binding receptors","Sema4D 
induced cell migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Separation of Sister Chromatids","ADOR
A2B mediated anti-inflammatory cytokines production","Trafficking of GluR2-containing AMPA receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","The phototransduction cascade","Regulation
 of TP53 Activity through Phosphorylation","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","PKA-mediated phosphorylation of CREB","Chemokine receptors bind chemokines
","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransduction cascade","HIV Transcription Elongation","
Regulation of TP53 Degradation","PKA activation","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{PKIA,PRKACA,ROCK1,ROCK2}

> <broad_moa>
{"rho associated kinase inhibitor"}

> <synonyms>
{"ASUDIL (HA1077) HC","ASUDIL (HA 1077) HC","1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-,monohydrochloride","1H1,4Diazepine, hexahydro1(5isoquinolinylsulfonyl),monohydrochloride","1H 1","
4 Diazepine","hexahydro 1 (5 isoqui",541,S1573,"Fasudil hydrochloride","Fasudil (HA-1077) HCl"}

> <pdid>
PD001304

> <targets>
{Rho-kinases,ROCK,Autophagy}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{657249,163751}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    5.1929   -3.0062    0.0000 C   0  0
    6.4919   -3.7562    0.0000 O   0  0
    5.1933   -1.5053    0.0000 C   0  0
    6.4921   -0.7549    0.0000 F   0  0
    3.8943   -0.7553    0.0000 F   0  0
    5.1931   -0.0053    0.0000 F   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3032    3.7490    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    3.8756   -9.7579    0.0000 C   0  0
    6.4893   -5.2669    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  1  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 12 16  1  0
 16 17  1  0
  7 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 19 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13077

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
J147

> <ctcr_id>
12464

> <supplier_cmpd_id>
T1993

> <smiles>
C(=O)(C(F)(F)F)N(/N=C/c1cc(ccc1)OC)c1c(cc(cc1)C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"BDNF inducer"}

> <synonyms>
{1146963-51-0,1146963510,"J 147",SCHEMBL21294998,AOB2430,ZINC59155662,B5804,T1993,J147}

> <pdid>
PD012900

> <targets>
{BDNF}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{91885410}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.3786   -3.8595    0.0000 S   0  0
   -1.8371   -5.2877    0.0000 C   0  0
   -0.9513   -6.4982    0.0000 O   0  0
   -3.3371   -5.2929    0.0000 N   0  0
   -3.8056   -3.8680    0.0000 C   0  0
   -5.2311   -3.4009    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  2  0
 18  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13078

> <plate>
PLATE 002

> <well>
A8

> <supplier_cmpd_name>
SMI-4a

> <ctcr_id>
7363

> <supplier_cmpd_id>
T3058

> <smiles>
FC(F)(F)c1cccc(/C=C/2SC(=O)NC2=O)c1

> <pd_targets>
{PIM1,PIM2,TTR,CISD1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)",Transthyretin,"CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","FLT3 signaling in disease","GPCR downstream signalling","Signalin
g by FLT3 ITD and TKD mutants","G alpha (i) signalling events","STAT5 activation downstream of FLT3 ITD mutants","Visual phototransduction","The canonical retinoid cycle in rods (twilight vision)"}

> <broad_targets>
{PIM1}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{"CS PIM1 4",438190-29-5,438190295,SMI-4a,SMI4a,"SMI 4a","TCS PIM-1 4a","TCS PIM1 4a",(Z)-SMI-4a,(Z)SMI4a,"(Z)-5-(3-(trifluoromethyl)benzylidene)thiazolidine-2,4-dione","(Z)5(3(trifluoromethyl)benzyli
dene)thiazolidine2,4dione","(5Z)-5-(3-(trifluoromethyl)benzylidene)-1,3-thiazolidine-2,4-dione","(5Z)5(3(trifluoromethyl)benzylidene)1,3thiazolidine2,4dione",CHEMBL183906,(5Z)-5-((3-(TRIFLUOROMETHYL)P
HENYL)METHY,(5Z)5((3(TRIFLUOROMETHYL)PHENYL)METHY,SY-SMI-4a,"EMD 526523",nan,S8005,526523}

> <pdid>
PD010270

> <targets>
{PIM,Pim}

> <classes>
{}

> <pubchem_cids>
{1361334}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 42 46  0  0  0  0            999 V2000
    9.1208   -5.2312    0.0000 C   0  0
    9.1125   -3.7312    0.0000 C   0  0
    7.8090   -2.9872    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8794   -1.4442    0.0000 C   0  0
   -4.8817   -2.5602    0.0000 C   0  0
   -4.3452   -0.0184    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 N   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 N   0  0
    1.2895    8.2559    0.0000 C   0  0
    1.2847    9.7558    0.0000 C   0  0
   -0.0167   10.5017    0.0000 N   0  0
   -1.3134    9.7476    0.0000 C   0  0
   -1.3086    8.2476    0.0000 C   0  0
   -0.0246   12.0025    0.0000 C   0  0
   -1.3271   12.7465    0.0000 C   0  0
    1.2708   12.7589    0.0000 C   0  0
    6.4939    0.7591    0.0000 C   0  0
    5.1923    1.5046    0.0000 O   0  0
    7.7903    1.5136    0.0000 N   0  0
    9.0919    0.7681    0.0000 C   0  0
    9.0971   -0.7319    0.0000 C   0  0
   10.3884    1.5226    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 12 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
  5 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  2  3
 41  4  1  0
 40 42  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13079

> <plate>
PLATE 002

> <well>
A9

> <supplier_cmpd_name>
UNC1999

> <ctcr_id>
6195

> <supplier_cmpd_id>
T3057

> <smiles>
CCCC1=C(CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccc(nc4)N5CCN(CC5)C(C)C)C(=O)NC(=C1)C

> <pd_targets>
{EZH1,EZH2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{UNC1999,1431612-23-5,1431612235,UNC-1999,"UNC 1999",GTPL8237,SCHEMBL16767552,AOB4219,EX-A252,EXA252,HMS3653O13,BCP08257,ABP001104,MFCD26960958,ZINC98043801,AKOS025142028,CCG-270094,CCG270094,CS-1658,
CS1658,SB19347,NCGC00351477-01,NCGC0035147701,NCGC00351477-09,NCGC0035147709,AC-31433,AC31433,AK474027,AS-55989,AS55989,DA-44779,DA44779,T3057,S7165}

> <pdid>
PD000019

> <targets>
{"Histone Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{72551585}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -13.0029    2.9796    0.0000 O   0  0
  -14.2989    0.7273    0.0000 N   0  0
  -15.5995    1.4746    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13080

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
Histone Deacetylase Inhibitor III

> <ctcr_id>
12342

> <supplier_cmpd_id>
T2157

> <smiles>
CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO

> <pd_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC7,HDAC10,HDAC11,HDAC6,HDAC8,HDAC9,LTA4H,HDA106}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Protease,"Histone deacetylase","Metallo protease","HDAC class I","Metallo protease MAE clan","HDAC class IIa","HDAC class IIb","Metallo protease M1 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Chromatin modifying enzymes","MA: Metallo (M) Peptidases","3.5.1.- Histone deacetylases (HDACs)","M1: Aminopeptidase N"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Metabolism of lipids","Disorders of Developmental Biology","RNA Polymerase II Transcription","Biosynthesis of specialized proresolving mediators 
(SPMs)","Disorders of Nervous System Development","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","Pervasive developmental disorders","Transcriptional Regulation by TP53","Transcrip
tional regulation by RUNX2","Biosynthesis of aspirin-triggered D-series resolvins","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RUNX2 regulates bone development","Loss o
f MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the NCoR/SMRT complex","Regulation of TP53 Activity through Acetylation","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{m344,DTXSID90274415,CHEBI:125562,HMS3648E20,HMS3656B08,3802AH,7-((4-(DIMETHYLAMINO)PHENYL)FORMAMIDO)-N-HYDROXYHEPTANAMIDE,7((4(DIMETHYLAMINO)PHENYL)FORMAMIDO)NHYDROXYHEPTANAMIDE,BDBM50082665,NSC71816
9,s2779,ZINC12502280,AKOS022183358,CCG-208693,CCG208693,CS-1342,CS1342,DB02565,NSC-718169,VZ27896,M344,">=98 (HPLC)",powder,T2157,"Histone Deacetylase Inhibitor III"}

> <pdid>
PD010577

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{3994}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -2.6044    2.9986    0.0000 C   0  0
   -3.9039    3.7478    0.0000 C   0  0
   -3.9049    5.2478    0.0000 C   0  0
   -2.6064    5.9986    0.0000 C   0  0
   -2.6043    7.4995    0.0000 O   0  0
   -1.3039    8.2489    0.0000 C   0  0
   -1.3018    9.7497    0.0000 C   0  0
   -0.0015   10.4991    0.0000 N   0  0
    0.1405   11.9796    0.0000 C   0  0
    1.6086   12.2873    0.0000 C   0  0
    2.3550   10.9862    0.0000 C   0  0
    1.3481    9.8743    0.0000 C   0  0
   -1.3068    5.2495    0.0000 C   0  0
   -1.3058    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1992   -2.9856    0.0000 S   0  0
   -5.1935   -1.4856    0.0000 O   0  0
   -6.4953   -2.2305    0.0000 O   0  0
   -6.5020   -3.7306    0.0000 N   0  0
   -7.7992   -2.9757    0.0000 C   0  0
   -9.1013   -3.7204    0.0000 C   0  0
   -7.7935   -1.4758    0.0000 C   0  0
   -9.0952   -2.2206    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 10 19  1  0
 19 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13081

> <plate>
PLATE 002

> <well>
A11

> <supplier_cmpd_name>
Fedratinib

> <ctcr_id>
2863

> <supplier_cmpd_id>
T1995

> <smiles>
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C

> <pd_targets>
{DCLK1,ABL1,CSF1R,EGFR,EPHA3,MAP3K2,CIT,STK38,NEK6,RPS6KA6,ULK2,TAOK2,CDK4,FLT3,ROCK2,KIT,RET,IRAK3,CAMK2B,JAK1,TLK2,INSR,STK11,MYLK4,SBK1,DCLK2,ERBB4,BMPR2,ERN1,EPHB2,CAMK1D,FGFR2,CAMKK1,NEK9,CAMK2G,
LRRK2,WEE2,BRD4,BRDT,IRAK1,BLK,PAK2,MAPK8,RPS6KA1,NEK4,TTK,CLK2,PLK3,BRAF,EPHB1,EPHB6,JAK2,TLK1,LATS2,STK36,IRAK4,TAOK3,MAP3K9,TBK1,SRPK3,COQ8B,MAP3K19,MAP2K2,STK33,MUSK,SIK1,PRKG2,GAK,DAPK3,CDK7,MKNK
1,DDR1,FES,RIPK1,EPHB4,MAP3K13,MAP2K4,JAK3,AURKC,AURKB,STK16,ACVRL1,FGFR3,PHKG2,EIF2AK4,PAK4,STK26,BMP2K,PAK6,CAMK1G,RIOK1,TSSK1B,MYLK2,ZAP70,NTRK1,NEK3,PDGFRB,MAPK6,PIP4K2B,ULK1,PRPF4B,ALK,AURKA,YES1
,PLK4,CHEK1,PIK3CA,DMPK,MYLK,DYRK1B,STK17A,PLK1,SRC,CDK16,PHKG1,STK25,STK39,SIK2,CAMK2A,TNNI3K,MET,TYK2,HCK,LYN,MARK3,MAP3K3,CDK18,MAP4K2,INSRR,COQ8A,FGFR4,FGFR1,MAP3K20,ROCK1,NTRK2,MAPK9,HIPK4,NEK11,
HIPK1,ANKK1,NEK5,PRKAA2,NEK2,CDKL5,RPS6KB1,MAP4K3,TNK1,EPHA4,TAOK1,ITK,HIPK3,CDK15,MAP3K12,CDK17,CLK1,PRKAA1,TEK,IGF1R,MINK1,MAP4K1,ACVR1,BMPR1B,MARK1,MYLK3,CSNK2A1,TNK2,AXL,MAP3K11,ABL2,PI4KB,PIK3CG,
ACVR1B,CAMK1,TGFBR2,EPHA6,PAK5,EPHA8,RIPK4,HIPK2,MARK4,FYN,PKN1,SBK3,IKBKB,FLT1,LIMK1,FGR,SRPK1,WEE1,CASK,STK17B,RPS6KA3,ROS1,EIF2AK1,FLT4,RPS6KA4,EPHA1,RPS6KA5,TIE1,LIMK2,PTK6,STK10,CAMKK2,PLK2,CDK14
,BMX,MATK,MAPK10,CDKL2,NEK1,SLK,NUAK1,NEK7,GRK7,NIM1K,PTK2,CDPK1,ULK3,KDR,EPHA7,NTRK3,CAMK2D,BTK,RPS6KA2,CDK9,CLK4,PIP4K2C,NUAK2,MAP3K7,LTK,PAK1,FER,MAPK7,MAP2K1,RIPK2,PRKD3,PDGFRA,PTK2B,MERTK,DAPK2,A
AK1,PRKG1,SRPK2,DDR2,PIP5K1A,MARK2,MKNK2,PKNB,SRMS,MAP2K3,CSK,SYK,CSNK2A2,FRK,RIOK3,EPHA2,DCLK3,IKBKE,MELK,CILK1,MAP2K5,GRK4,PRKCE,MAP3K4,SGK3,DAPK1,MAPK15,DSTYK,TXK,LCK,TESK1,CHUK,EIF2AK2,SNRK,RIOK2,
MAP3K10,SIK3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Kinase,Transferase,Reader,"Protein Kinase",Bromodomain,"CAMK protein kinase group","TK protein kinase group","STE protein kinase group","AGC prote
in kinase group","Other protein kinase group","CMGC protein kinase group","TKL protein kinase group","Atypical protein kinase group","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Abl fa
mily","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Eph family","STE protein kinase STE11 family","AGC protein kinase DMPK family","AGC protein 
kinase NDR family","Other protein kinase NEK family","AGC protein kinase RSK family","Other protein kinase ULK family","STE protein kinase STE20 family","Tyrosine protein kinase Ret family","TKL prote
in kinase IRAK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase JakA family","Other protein kinase TLK family","Tyrosine protein kinase InsR family","CAMK protein kinase CAMK1 famil
y","CAMK protein kinase MLCK family","Other protein kinase NKF1 family","TKL protein kinase STKR family","Tyrosine protein kinase FGFR family","Other protein kinase CAMKK family","TKL protein kinase L
RRK family","Other protein kinase WEE family","Tyrosine protein kinase Src family","CMGC protein kinase MAPK family","Other protein kinase TTK family","CMGC protein kinase CLK family","Other protein k
inase PLK family","TKL protein kinase RAF family","TKL protein kinase MLK family","Other protein kinase IKK family","CMGC protein kinase SRPK family","Atypical protein kinase ABC1 family","STE protein
 kinase STE7 family","CAMK protein kinase unique family","Tyrosine protein kinase Musk family","AGC protein kinase PKG family","Other protein kinase NAK family","CAMK protein kinase DAPK family","CMGC
 protein kinase CDK family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Fer family","TKL protein kinase RIPK family","Other protein kinase AUR fa
mily","CAMK protein kinase PHk family","Other protein kinase PEK family","Atypical protein kinase RIO family","CAMK protein kinase TSSK family","Tyrosine protein kinase Syk family","Tyrosine protein k
inase Trk family","CMGC protein kinase DYRK family","Tyrosine protein kinase Met family","CMGC protein kinase CDKL family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Tec family","Ty
rosine protein kinase Tie family","Other protein kinase CK2 family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase VEGFR family","TKL protein kinase LISK
 family","Tyrosine protein kinase Sev family","Tyrosine protein kinase Csk family","AGC protein kinase GRK family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Alk family","CAMK prote
in kinase PKD family","CMGC protein kinase RCK family","AGC protein kinase PKC family","AGC protein kinase SGK family","STE protein kinase MEKK2","AGC protein kinase CRIK subfamily","AGC protein kinas
e RSK subfamily","STE protein kinase TAO subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase LKB subfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase Meta subfam
ily","Other protein kinase WEE1","STE protein kinase PAKA subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","Atypical protein kinase ABC1-A subfamily","CAMK protein kin
ase QIK subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase MNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR Type 1 subfamily","Other protein kinase GCN2 sub
family","STE protein kinase PAKB subfamily","STE protein kinase YSK subfamily","Atypical protein kinase RIO1 subfamily","Other protein kinase Nek1","CMGC protein kinase ERK3","CAMK protein kinase CHK1
 subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase TAIRE subfamily","STE protein kinase FRAY subfamily","TKL protein kinase HH498 subfamily","CAM
K protein kinase MARK subfamily","CMGC protein kinase PCTAIRE","STE protein kinase KHS subfamily","CMGC protein kinase HIPK subfamily","Other protein kinase Nek11","CAMK protein kinase AMPK subfamily"
,"AGC protein kinase p70 subfamily","CMGC protein kinase PFTAIRE","STE protein kinase MSN subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","TKL protein kinase LIMK subfamily","Othe
r protein kinase HRI","AGC protein kinase MSK subfamily","STE protein kinase SLK subfamily","Other protein kinase PLK2","CAMK protein kinase NuaK subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase NIM1 subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase ERK5","Tyrosine protein kinase Srm","Atypical protein kinase RIO3 subfamily",
"CAMK protein kinase MELK subfamily","CMGC protein kinase MAK","AGC protein kinase PKC eta subfamily","TKL protein kinase TESK subfamily","Other protein kinase PKR","Atypical protein kinase RIO2 subfa
mily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","Bromodomain-containing proteins","CAMK: Calcium/calmodulin-dependent protein kina
ses","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Enzymatic bromodo
main-containing proteins","Non-enzymatic BRD containing proteins",Atypical,"Lipid modifying kinases","DCAMKL family","TK: Tyrosine kinase","STE11 family","DMPK family","NDR family","Other protein kina
ses","RSK family","STE20 family","Cyclin-dependent kinase (CDK) family","TKL: Tyrosine kinase-like","CAMK2 family","CAMK-like (CAMKL) family","Myosin Light Chain Kinase (MLCK) family","CAMK1 family","
Bromodomain kinase (BRDK) family","Mitogen-activated protein kinases (MAP kinases)","CLK family","SRPK family","ABC1 family","STE7 family","CAMK-unique family","Protein kinase G (PKG) family","Death-a
ssociated kinase (DAPK) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","RIO family","Testis specific kinase (TSSK) family","Type II PIP kinases (1-phospha
tidylinositol-5-phosphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Cyclin-dependent kin
ase-like (CDKL) family","1-phosphatidylinositol 4-kinase family","Protein kinase N (PKN) family","CASK family","G protein-coupled receptor kinases (GRKs)","Protein kinase D (PKD) family","Type I PIP k
inases (1-phosphatidylinositol-4-phosphate 5-kinase family)","RCK family","Protein kinase C (PKC) family","SGK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Other
 DMPK family kinases","NIMA (never in mitosis gene a)- related kinase (NEK) family","RSK subfamily","Unc-51-like kinase (ULK) family","TAO subfamily","CDK4 subfamily","Rho kinase","Interleukin-1 recep
tor-associated kinase (IRAK) family","Tousled-like kinase (TLK) family","LKB subfamily","NKF1 family","Receptor serine/threonine kinase (RSTK) family","IRE family","CAMKK family","Leucine-rich repeat 
kinase (LRRK) family","WEE family","PAKA subfamily","JNK subfamily","TTK family","Polo-like kinase (PLK) family","RAF family","Mixed Lineage Kinase (MLK) family","IKK family","ABC1-B subfamily","STE20
 subfamily","QIK subfamily","Numb-associated kinase (NAK) family","CDK7 subfamily","MKN subfamily","Receptor interacting protein kinase (RIPK) family","Aurora kinase (Aur) family","NAK family","PEK fa
mily","PAKB subfamily","YSK subfamily","RIO1 subfamily","ERK subfamily","PRP4 subfamily","CHK1 subfamily","GEK subfamily","Dyrk1 subfamily","TAIRE subfamily","FRAY subfamily","MARK subfamily","KHS sub
family","HIPK subfamily","AMPK subfamily","p70 subfamily","MSN subfamily","Casein kinase 2 (CK2) family","LIM domain kinase (LISK) family","MSK subfamily","SLK subfamily","NuaK subfamily","Opsin/rhodo
psin kinases","NIM1 subfamily","CDK9 subfamily","RIO3 subfamily","MELK subfamily","GRK4 subfamily","Eta subfamily","Erk7 subfamily","Other-unique family","SNRK subfamily","RIO2 subfamily","Abl family"
,"Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type XIV RTKs: RET","Janus kinase (JakA)
 family","Type II RTKs: Insulin receptor family","Type II receptor serine/threonine kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family","Meta subfamily","Src family","MLK subfamily"
,"Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Fer family","LZK subfamily","Type I receptor serine/threonine kinases","GCN2 subfamily","Syk family","Type VII RTKs: Neurotrophin
 receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","HH498 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Ack family","Tec family","Type X
II RTKs: TIE family of angiopoietin receptors","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","LIMK subfamily"
,"Type XVII RTKs: ROS receptors","Other PEK family kinases","Csk family","Fak family","TAK1 subfamily","TESK subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Cell Cycle","Neuronal System","Immune System","Metabolism of proteins","Extracellular matrix organization","Ci
rcadian Clock","Vesicle-mediated transport","Programmed Cell Death",Metabolism,"Cellular responses to external stimuli","Metabolism of RNA",Autophagy,"DNA Repair","Muscle contraction","Organelle bioge
nesis and maintenance",Hemostasis,"Transport of small molecules","Cell-Cell communication","Infectious disease","RNA Polymerase II Transcription","Signaling by GPCR","Nervous system development","Sign
aling by Rho GTPases",Mitotic,"Transmission across Chemical Synapses","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Innat
e Immune System","Cytokine Signaling in Immune system","Intracellular signaling by second messengers","Signaling by TGFB family members","Unfolded Protein Response (UPR)","Signaling by Non-Receptor Ty
rosine Kinases","Signaling by Hippo","ECM proteoglycans","MAPK family signaling cascades","Membrane Trafficking",Apoptosis,"Non-integrin membrane-ECM interactions","Metabolism of carbohydrates","Cellu
lar responses to stress","rRNA processing","Adaptive Immune System",Macroautophagy,"DNA Double-Strand Break Repair","Cardiac conduction","MTOR signalling","Metabolism of lipids","Signaling by NODAL","
Cilium Assembly","Cell Cycle Checkpoints","Signaling by Hedgehog","Cell surface interactions at the vascular wall","Platelet homeostasis","Ion channel transport","Cell junction organization","Leishman
ia infection","Generic Transcription Pathway","GPCR downstream signalling","Axon guidance","RHO GTPase Effectors","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G
1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by KIT in disease","Toll-like Receptor Cascades","Interferon Signaling","PIP3 activates AKT signaling","Signaling by BMP","IRE1a
lpha activates chaperones","Signaling by FGFR in disease","Signaling by PTK6","SARS-CoV Infections","HIV Infection","Signaling by NTRKs","MAPK1/MAPK3 signaling","trans-Golgi Network Vesicle Budding","
Caspase activation via extrinsic apoptotic signalling pathway","Signaling by FGFR","Signaling by Interleukins","Glycogen metabolism","Response of EIF2AK4 (GCN2) to amino acid deficiency","Apoptotic ex
ecution phase","rRNA processing in the nucleus and cytosol","TCR signaling","MAPK6/MAPK4 signaling","Selective autophagy","Mitotic G2-G2/M phases","Homology Directed Repair","Ion homeostasis","Oncogen
ic MAPK signaling","Regulation of mitotic cell cycle","mTORC1-mediated signalling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Cellular Senescence","Signaling by VEGF","Phosph
olipid metabolism","Regulation of signaling by NODAL","Signaling by TGF-beta Receptor Complex in Cancer","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Response of EIF2AK1 (H
RI) to heme deficiency","Neutrophil degranulation","Signaling by ERBB2","Hedgehog 'on' state","Signaling by SCF-KIT","Sphingolipid metabolism","Signaling by PDGFR in disease","Clathrin-mediated endocy
tosis","Nitric oxide stimulates guanylate cyclase","Fcgamma receptor (FCGR) dependent phagocytosis","Stimuli-sensing channels","Fc epsilon receptor (FCERI) signaling","Cell-extracellular matrix intera
ctions","Influenza Infection","Parasite infection","Transcriptional Regulation by VENTX","G alpha (q) signalling events","EPH-Ephrin signaling","RHO GTPases activate CIT","Mitotic Prophase","Activatio
n of NMDA receptors and postsynaptic events","G1 Phase","Insulin receptor signalling cascade","Semaphorin interactions","Drug resistance of KIT mutants","RET signaling","Toll Like Receptor 2 (TLR2) Ca
scade","Antiviral mechanism by IFN-stimulated genes","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by TP53","Signaling by FGFR2 in disease","PTK6 promotes HIF1A stabilizati
on","Potential therapeutics for SARS","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX1","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Toll Like Receptor 4 (
TLR4) Cascade","RAF/MAP kinase cascade","Golgi Associated Vesicle Biogenesis","Caspase activation via Dependence Receptors in the absence of ligand","HIV Life Cycle","Signaling by FGFR4","Interleukin-
2 family signaling","Mitotic Metaphase and Anaphase","Signaling by FGFR3 in disease","Glycogen breakdown (glycogenolysis)","Signaling by ROBO receptors","Apoptotic cleavage of cellular proteins","Majo
r pathway of rRNA processing in the nucleolus and cytosol","Generation of second messenger molecules",Mitophagy,"Leishmania parasite growth and survival","G2/M Transition","HDR through Homologous Reco
mbination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR1 in disease","RHO GTPases activate PAKs","Interferon alpha/beta signaling","Signaling by RAS mutants","Interleukin-1 family signali
ng","APC/C-mediated degradation of cell cycle proteins","IGF1R signaling cascade","Oxidative Stress Induced Senescence","VEGFA-VEGFR2 Pathway","PI Metabolism","Loss of Function of SMAD2/3 in Cancer","
RHO GTPases activate PKNs","VEGF ligand-receptor interactions","G2/M DNA damage checkpoint","L1CAM interactions","Downregulation of ERBB2 signaling","G alpha (i) signalling events","Signaling by NTRK3
 (TRKC)","Sphingolipid de novo biosynthesis","Drug resistance of PDGFR mutants","Cargo recognition for clathrin-mediated endocytosis","cGMP effects","PTK6 Down-Regulation","PTEN Regulation","Role of p
hospholipids in phagocytosis","FCERI mediated Ca+2 mobilization","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","NS1 Mediated Effects on Host Pathways","Leishmani
a phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHA-mediated growth cone collapse","Nuclear Envelope Breakdown","Post NMDA receptor activation events","Cyclin D associated events 
in G1","IRS-mediated signalling","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism",PI5P,"PP2A and IER3 Regulate PI3K
/AKT Signaling","Regulation of TP53 Activity","EPHB-mediated forward signaling","FGFR2 mutant receptor activation","MyD88 cascade initiated on plasma membrane","RUNX1 regulates transcription of genes 
involved in BCR signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","MyD88-independent TLR4 cascade","RAS processing","Late Phase of HIV Life Cycle","Negati
ve regulation of FGFR4 signaling","CRMPs in Sema3A signaling","Interleukin-15 signaling","Mitotic Anaphase","Signaling by FGFR3 point mutants in cancer","Activation of RAC1","Receptor Mediated Mitopha
gy","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","HDR through Homologous Recombination (HRR)","FGFR1 mutant receptor activation","Regulation of IFNA sig
naling","Signaling downstream of RAS mutants","Interleukin-1 signaling","Downstream signaling of activated FGFR4","Activation of TRKA receptors","Activation of APC/C and APC/C:Cdc20 mediated degradati
on of mitotic proteins","IRS-related events triggered by IGF1R","Role of ABL in ROBO-SLIT signaling","Synthesis of PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","SMAD2/3 Phosp
horylation Motif Mutants in Cancer","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","VEGF binds to VEGFR leading to receptor dimerization","Chk1/Chk2(
Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Assembly and cell surface presentation of NMDA receptors","Recycling pathway of L1","Visual phototransduction","VEGFR2 mediated cell proliferatio
n","Activated NTRK3 signals through PI3K","Imatinib-resistant PDGFR mutants","Interleukin-2 signaling","Regulation of PTEN stability and activity","Signalling to ERK5","Inhibition of PKR","FCGR3A-medi
ated phagocytosis","EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","PI3K Cascade","Sema
4D induced cell migration and growth-cone collapse","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Regulation of TP53 Activity through Phosphorylation","Long-term potentiation","Activated po
int mutants of FGFR2","Activation of RAC1 downstream of NMDARs","MAP kinase activation","Nef and signal transduction","Prolonged ERK activation events","TRIF(TICAM1)-mediated TLR4 signaling","Transcri
ption of the HIV genome","Spry regulation of FGF signaling","Separation of Sister Chromatids","FGFR3 mutant receptor activation","Regulation of TP53 Activity through Acetylation","FCGR3A-mediated IL10
 synthesis","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand Exchange","Signaling by cytosolic FGFR1 fusion mutants","Signalli
ng to RAS","Sema4D mediated inhibition of cell attachment and migration","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","APC/C:Cdc20 m
ediated degradation of mitotic proteins","Activation of AMPK downstream of NMDARs","CD163 mediating an anti-inflammatory response","The phototransduction cascade","Nef-mediates down modulation of cell
 surface receptors by recruiting them to clathrin adapters","RSK activation","Ras activation upon Ca2+ influx through NMDA receptor","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclea
r events mediated by MAP kinases","ARMS-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Frs2-mediated activation","HIV Transcription Elongation","IKK complex recruitment m
ediated by RIP1","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Signaling by activated point mutants of FGFR3","PI5P Regulates TP53 Acetylation","Loss of Nlp f
rom mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycl
e checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Nef Mediated CD4 Down-regulation","Activation of t
he AP-1 family of transcription factors","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","Formation of HIV-1 elong
ation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{BRD4,JAK1,JAK2,JAK3,TYK2}

> <broad_moa>
{"FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{Fedratinib,936091-26-8,936091268,Tg-101348,Tg101348,TG101348,SAR302503,"TG 101348",SAR-302503,"Fedratinib (SAR302503, TG101348)",UNII-6L1XP550I6,UNII6L1XP550I6,"TG101348 (SAR302503)","SAR 302503",CHE
MBL1287853,C27H36N6O3S,6L1XP550I6,"936091-26-8 (free base)","936091268 (free base)",Inrebic,T1995,S2736,SY-TG101348,TG-101348}

> <pdid>
PD003532

> <targets>
{JAK,JAK2,Apoptosis}

> <classes>
{JAK/STAT,Apoptosis,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{16722836}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -3.8929    3.7516    0.0000 O   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4915    5.2570    0.0000 C   0  0
   -7.7905    6.0070    0.0000 C   0  0
   -7.7905    7.5070    0.0000 O   0  0
   -9.0896    5.2570    0.0000 C   0  0
  -10.3886    6.0071    0.0000 O   0  0
   -9.0896    3.7570    0.0000 C   0  0
  -10.3886    3.0071    0.0000 O   0  0
   -7.7906    3.0070    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -6.5019   -5.2484    0.0000 O   0  0
   -7.7973   -2.9964    0.0000 C   0  0
   -9.0976   -3.7443    0.0000 O   0  0
   -7.7950   -1.4964    0.0000 C   0  0
   -9.0928   -0.7443    0.0000 O   0  0
   -6.4947   -0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 12  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23  6  1  0
 23 24  2  0
 24  2  1  0
 21 25  1  6
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13082

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
(-)-Epigallocatechin Gallate

> <ctcr_id>
1029

> <supplier_cmpd_id>
T2988

> <smiles>
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4

> <pd_targets>
{PGD,CREBBP,HSPD1,HSPE1,RAD52,FABG,MET,MAPT,POS-1,DYRK1A,APP,KAT2B,REP,POL,FABI,BCL2,MMP14,POLB,ZWF1,RECQL,GAA,BACE1,TERT,PIN1,KAT5,TTR,GROES,GROL,STAT1,SQLE,MMP2,ELANE,TDP1,PKM,FASN,PTGES,CNR1,PSMB5,
FABZ,MEX-5,KMT2A,MEN1,EP300,TST,ATP2A1,CNR2,KDM4E,TGR,FFP,MAPK14,MMP7,ALD,DPP4,MAPKAPK5,ABCB1,NS3,DNMT1,PGAM1,HSP90AB1,APEX1,CYP3A4,HSD17B10,KCNH2,MAPK1,BLM,GALK1,ALDH1A1,ALOX15,USP2,HPGD}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Other nuclear protein","Transcription factor","Membrane receptor","Ion channel","Secreted protein","Unclassified protein",Transporter,Oxidored
uctase,Writer,Kinase,Transferase,Hydrolase,"Other ion channel",Protease,Isomerase,Reader,"Family A G protein-coupled receptor","Primary active transporter",Eraser,"Histone acetyltransferase","Protein 
Kinase","Miscellaneous ion channel","Metallo protease","Aspartic protease","Methyl-lysine/arginine binding protein","Serine protease","Small molecule receptor (family A GPCR)","Threonine protease",Bro
modomain,"P-type ATPase","Lysine demethylase","ATP-binding cassette","DNA methyltransferase","p300/CBP family","TK protein kinase group","CMGC protein kinase group","GNAT family","Bcl-2 family","Metal
lo protease MAM clan","Aspartic protease AA clan",Chromodomain,"Serine protease PA clan","Lipid-like ligand receptor (family A GPCR)","Threonine protease PBT clan","Calcium ATPase","Jumonji domain-con
taining","Serine protease SC clan","CAMK protein kinase group","ABCB subfamily","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","Metallo protease M10A subfamily","Aspartic prote
ase A1A subfamily","Serine protease S1A subfamily","Cannabinoid receptor","Threonine protease T1A subfamily","CMGC protein kinase MAPK family","Serine protease S9B subfamily","CAMK protein kinase MAPK
APK family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase MAPKAPK subfamily","Cytochrome P450","Voltage-gated ion channel","Cytochrome P450 family 3","
Potassium channels","Cysteine protease","Cytochrome P450 family 3A","Voltage-gated potassium channel","Cysteine protease CA clan","Cytochrome P450 3A4","Cysteine protease C19 family","CMGC protein kin
ase ERK1"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Bromodomain-containing proteins","Catalytic receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Anti-infective targets","B-cell ly
mphoma 2 (Bcl-2) protein family","Peptidases and proteinases","3.2.1.- Glycosidases","Peptidyl-prolyl cis/trans isomerases",Transthyretin,"Lanosterol biosynthesis pathway","2.7.1.40 Pyruvate kinases",
"2.3.1.-  Acyltransferases","Eicosanoid turnover","G protein-coupled receptors","P-type ATPases","ATP-binding cassette transporter family","2.1.1.- Methyltransferases","Non-enzymatic BRD containing pr
oteins","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.3.1.48 Histone acetyltransferases (HATs)","Viral protein targets","MA: Metallo (M) Peptidases","AA: Aspartic (A) Peptidase
s","PA: Serine (S) Peptidases","Prostaglandin synthases","Cannabinoid receptors","PB: Threonine (T) Peptidases","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","1.14.11.- Histone demethylases","SC: Seri
ne (S) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","ABCB subfamily","TK: Tyrosine kinase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Coronavir
us (CoV) proteins","M10: Matrix metallopeptidase","A1: Pepsin","S1: Chymotrypsin","T1: Proteasome","Mitogen-activated protein kinases (MAP kinases)","S9: Prolyl oligopeptidase","MAPK-Activated Protein
 Kinase (MAPKAPK) family","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","p38 subfamily","MAPKAPK subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Heat shock proteins","
Ion channels","Cytochrome P450","Voltage-gated ion channels","CYP3 family","Potassium channels",Lipoxygenases,"CA: Cysteine (C) Peptidases","Voltage-gated potassium channels","C19: Ubiquitin-specific 
protease","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","DNA Repair","Developmental Biology","Neuronal System","Cell Cycle","Immune System",Disease,"Extracellular matrix organization","Metabolism of proteins","
Signal Transduction",Hemostasis,"Metabolism of carbohydrates","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Nervous system development","Transmission across Chemical Synapses",Mi
totic,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Degradation of the extracellular matrix","Base Excision Repair","D
iseases of metabolism","Amyloid fiber formation","Chromosome Maintenance","Signaling by GPCR","Metabolism of lipids","Metabolism of amino acids and derivatives","Platelet homeostasis","Signaling by Nu
clear Receptors","Peptide hormone metabolism","Abacavir transport and metabolism","Post-translational protein modification","Pentose phosphate pathway","Generic Transcription Pathway","Homology Direct
ed Repair","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 phase and G1/S transition","Toll-like Receptor Cascades","Signaling by NOTCH1 in Cancer","SARS-
CoV Infections","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Activation of Matrix Metalloproteinases","Resolution of Abasic Sites (AP sites)","Diseas
es of carbohydrate metabolism","Telomere Maintenance","GPCR downstream signalling","Signaling by FGFR in disease","Metabolism of steroids","Complement cascade","Nonhomologous End-Joining (NHEJ)","Gluc
ose metabolism","Fatty acid metabolism","Regulation of mitotic cell cycle","Sulfur amino acid metabolism","Platelet calcium homeostasis","ESR-mediated signaling","Incretin synthesis",secretion,"and in
activation","Abacavir transmembrane transport",SUMOylation,"Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Semaphorin interactions",
"Activation of NMDA receptors and postsynaptic events","G0 and Early G1","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","SARS-CoV-2 Infection",Inflammasom
es,"Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","Extension of Telomeres","G alpha (i) signalling events","Signaling by FGFR1 in disease","
Regulation of cholesterol biosynthesis by SREBP (SREBF)","EPH-Ephrin signaling","Regulation of Complement cascade",Glycolysis,"Arachidonic acid metabolism","APC/C-mediated degradation of cell cycle pr
oteins","Degradation of cysteine and homocysteine","Reduction of cytosolic Ca++ levels","Extra-nuclear estrogen signaling",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","SUMO E3 liga
ses SUMOylate target proteins",Gluconeogenesis,"TP53 Regulates Transcription of Cell Death Genes","HDR through Single Strand Annealing (SSA)","Sema4D in semaphorin signaling","Post NMDA receptor activ
ation events","MyD88 cascade initiated on plasma membrane","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","SARS-CoV-2 Genome Replication and Transcription","The NLRP1 inflammasome","PCNA-De
pendent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","Telomere Extension By Telomerase","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","Visual 
phototransduction","FGFR1 mutant receptor activation","Activation of gene expression by SREBF (SREBP)","EPH-ephrin mediated repulsion of cells","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"
,"Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Sulfide oxidation to sulfate","SUMOylation of DNA methylation proteins","TP53 Regulates Transcription of Genes Involved
 in Cytochrome C Release","Sema4D mediated inhibition of cell attachment and migration","Activation of AMPK downstream of NMDARs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex
","Replication of the SARS-CoV-2 genome","Regulation of TP53 Activity through Acetylation","Homologous DNA Pairing and Strand Exchange","The canonical retinoid cycle in rods (twilight vision)","Signal
ing by cytosolic FGFR1 fusion mutants","APC/C:Cdc20 mediated degradation of mitotic proteins","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","PI5P Regulates TP53 Acetyla
tion","Presynaptic phase of homologous DNA pairing and strand exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear
 events mediated by MAP kinases","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","Mitotic G2-G2/M phases","G2/M Transition","The role of
 GTSE1 in G2/M progression after G2 checkpoint","Muscle contraction","Cardiac conduction","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid
 catabolism","Phase 3 - rapid repolarisation","Diseases of glycosylation","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Diseases associated with glycosylation precurso
r biosynthesis","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Biosynthesis of maresins","Defective GALK1 can cause Galactosemia II (GALCT2)","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-
series resolvins","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation","ERK/MA
PK targets","ERKs are inactivated"}

> <broad_targets>
{ELANE,EP300,FASN,KAT2B,MMP14,MMP2}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"(-)-Epigallocatechin gallate","()Epigallocatechin gallate",EGCG,"Epigallocatechin gallate",989-51-5,989515,"Epigallocatechin 3-gallate","Epigallocatechin 3gallate",Epigallocatechin-3-gallate,Epigall
ocatechin3gallate,"Tea catechin",(-)-Epigallocatechin-3-o-gallate,()Epigallocatechin3ogallate,Epigallocatechin-3-monogallate,Epigallocatechin3monogallate,Teavigo,"(-)-Epigallocatechol galla","()Epigal
locatechol galla",T3807,T2988,S2250,SAM001247031,210239,"(-)-Gallocatechin gallate","(-)-Epigallocatechin Gallate","epigallocatechin-3-monogallate
((-)-Epigallocatechin Gallate)",CPD000449288,EPIGALLOCATECHIN-3-MONOGALLATE}

> <pdid>
PD002148

> <targets>
{"DNA Methyltransferase",HER2,Telomerase,EGFR,"Fatty Acid Synthase",Autophagy,"Endogenous Metabolite",Ferroptosis,HIV,"Mitochondrial Metabolism","Reactive Oxygen Species"}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{65064}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13083

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
Daphnetin

> <ctcr_id>
4751

> <supplier_cmpd_id>
T2851

> <smiles>
Oc1ccc2C=CC(=O)Oc2c1O

> <pd_targets>
{SMN1,THRB,ALOX15,THPO,POLB,PYK,KDM4E,MAPT,CYP3A4,CYP1A2,EGFR,PMP22,APEX1,LUXP,ALD,LMNA,HSD17B10,ALDH1A1,HPGD,TDP1,CHRM1,NPSR1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein","Membrane receptor",Reader,"Nuclear receptor",Oxidoreductase,Transferase,
Eraser,"Cytochrome P450",Kinase,Hydrolase,"Family A G protein-coupled receptor","Methyl-lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 fa
mily 3","Cytochrome P450 family 1","Protein Kinase","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Tudor domain","Nuclear hormone receptor subfamily 1 group A","Jumonji 
domain-containing","Cytochrome P450 family 3A","Cytochrome P450 family 1A","TK protein kinase group","Monoamine receptor","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1
 group A member 2","Cytochrome P450 3A4","Cytochrome P450 1A1","Tyrosine protein kinase EGFR family","Acetylcholine receptor","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","Chromatin modifying enzymes","Cytochrome P450","Catalytic receptors","G protein-coupled receptors","1A. Thyroid hormone receptors"
,Lipoxygenases,"1.14.11.- Histone demethylases","CYP3 family","CYP1 family","Receptor kinases","Prostaglandin synthases","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor","TK: Tyrosine 
kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Metabolism of RNA","Metabolism of proteins",Metabolism,Hemostasis,"DNA Repair","Neuronal System","Signal Transduction","Developmental Biology","Cell Cycle",Disease,"Metabolism of non-coding RNA","Po
st-translational protein modification","Metabolism of lipids","Platelet activation","signaling and aggregation","Base Excision Repair","Transmission across Chemical Synapses","Biological oxidations","
Signaling by GPCR","Nervous system development",Mitotic,"Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Infectious disease","snRNP Assembly",SUMOylation,"Biosynthesis of 
specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug Formation)","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - 
Functionalization of compounds","GPCR downstream signalling","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Branched-chain amino acid catabolism","Nonhomologous End-Joinin
g (NHEJ)","GPCR ligand binding","Leishmania infection","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacem
ent pathway","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G alpha (q) signalling events","Mitotic Metaphase
 and Anaphase","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3 SPMs","PCNA-Depende
nt Long Patch Base Excision Repair","Post NMDA receptor activation events","Biosynthesis of maresins",Xenobiotics,"Gastrin-CREB signalling pathway via PKC and MAPK","Mitotic Anaphase","Biosynthesis of
 D-series resolvins","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of AMPK
 downstream of NMDARs","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassembly","Musc
arinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{"7,8-Dihydroxycoumarin","7,8Dihydroxycoumarin",486-35-1,486351,Daphnetol,"7,8-Dihydroxy-2H-chromen-2-one","7,8Dihydroxy2Hchromen2one","7,8-Dihydroxy-2H-1-benzopyran-2-one","7,8Dihydroxy2H1benzopyran2
one","7,8-dihydroxychromen-2-one","7,8dihydroxychromen2one","2H-1-Benzopyran-2-one, 7,8-dihydroxy-","2H1Benzopyran2one, 7,8dihydroxy","7,8-DIHYDROXY-2H-BENZOPYRAN-2-ONE","7,8DIHYDROXY2HBENZOPYRAN2ONE"
,UNII-XC84571RD2,UNIIXC84571RD2,T2851,1504141,Daphnetin,DAPHNETIN}

> <pdid>
PD001265

> <targets>
{EGFR,PKA,PKC,Autophagy,Parasite}

> <classes>
{antimalarial,PK inhibitor,Anti-infection,Autophagy,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{5280569}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 19  0  0  1  0            999 V2000
   -4.5899    0.7511    0.0000 C   0  0
   -3.2934    1.5055    0.0000 C   0  0
   -3.2990    3.0055    0.0000 C   0  0
   -1.9900    0.7600    0.0000 C   0  0
   -1.9900   -0.6700    0.0000 C   0  0
   -0.7500    0.0400    0.0000 C   0  0  1  0  0  0
   -1.7800    2.5000    0.0000 O   0  0
   -0.7500    1.4800    0.0000 C   0  0  1  0  0  0
   -0.4900    0.5144    0.0000 O   0  0
    0.6800    1.4800    0.0000 C   0  0
    1.9300    0.7600    0.0000 C   0  0
    3.4300    0.7600    0.0000 C   0  0
    0.6800    0.0400    0.0000 C   0  0
    1.1200   -1.3200    0.0000 C   0  0
    0.0000   -2.1700    0.0000 C   0  0
   -1.1900   -1.3200    0.0000 C   0  0
   -2.6144   -1.7902    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  6  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  6  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13084

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
Curcumol

> <ctcr_id>
7784

> <supplier_cmpd_id>
T2853

> <smiles>
CC(C)C1C[C@@]23O[C@]1(O)CC(=C)C2CCC3C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{W219224,SW219224-1,SW2192241,S2407,Curcumol}

> <pdid>
PD012050

> <targets>
{Apoptosis}

> <classes>
{Apoptosis}

> <pubchem_cids>
{71545751}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 78 85  0  0  1  0            999 V2000
   20.2593    0.9188    0.0000 Na  0  3
   13.8889   -2.5461    0.0000 C   0  0
   12.5932   -3.3018    0.0000 C   0  0
   12.6003   -4.8018    0.0000 O   0  0
   11.2904   -2.5567    0.0000 O   0  0
   11.2833   -1.0559    0.0000 C   0  0
   12.5790   -0.3002    0.0000 C   0  0
    9.9805   -0.3108    0.0000 C   0  0
    8.6848   -1.0665    0.0000 C   0  0
    9.9734    1.1900    0.0000 C   0  0
   11.2692    1.9457    0.0000 O   0  0
    8.6706    1.9351    0.0000 O   0  0
    8.6636    3.4359    0.0000 C   0  0
    7.3600    4.1800    0.0000 C   0  0  1  0  0  0
    8.5200    4.9500    0.0000 C   0  0  1  0  0  0
    9.4012    4.4773    0.0000 O   0  0
    8.5200    6.5000    0.0000 C   0  0  1  0  0  0
    5.7200    3.5100    0.0000 O   0  0
    7.3600    2.5200    0.0000 C   0  0  2  0  0  0
    6.1500    1.7500    0.0000 C   0  0
    4.9700    2.5200    0.0000 C   0  0  2  0  0  0
    4.9681    1.5200    0.0000 C   0  0
    4.9700    4.1800    0.0000 C   0  0
    3.7800    4.9500    0.0000 C   0  0
    2.5900    4.1800    0.0000 C   0  0
    2.5900    2.5200    0.0000 C   0  0  1  0  0  0
    3.7800    1.7500    0.0000 C   0  0  2  0  0  0
    3.7546    2.7497    0.0000 C   0  0
    3.7800    0.2000    0.0000 C   0  0
    2.5900   -0.5500    0.0000 C   0  0
    1.3900    0.2000    0.0000 C   0  0  2  0  0  0
    1.3900    1.7500    0.0000 C   0  0  1  0  0  0
    1.3929    3.2500    0.0000 C   0  0
    0.2000    2.5200    0.0000 C   0  0
   -0.9800    1.7500    0.0000 C   0  0
   -0.9800    0.2000    0.0000 C   0  0  2  0  0  0
   -2.2759   -0.5585    0.0000 O   0  0
   -3.5810    0.1826    0.0000 C   0  0  2  0  0  0
   -3.5882    1.6826    0.0000 O   0  0
   -4.8907    2.4265    0.0000 C   0  0  2  0  0  0
   -4.8947    3.9273    0.0000 C   0  0
   -5.7622    4.4247    0.0000 O   0  5
   -3.5982    4.6816    0.0000 O   0  0
   -6.1862    1.6704    0.0000 C   0  0  1  0  0  0
   -7.4880    2.4173    0.0000 O   0  0
   -8.7862    1.6643    0.0000 C   0  0  1  0  0  0
   -8.7802    0.1642    0.0000 O   0  0
  -10.0761   -0.5911    0.0000 C   0  0  2  0  0  0
  -10.0670   -2.0919    0.0000 C   0  0
  -11.3609   -2.8506    0.0000 O   0  0
  -11.3782    0.1536    0.0000 C   0  0  1  0  0  0
  -12.6742   -0.6016    0.0000 O   0  0
  -11.3843    1.6536    0.0000 C   0  0  2  0  0  0
  -12.6864    2.3984    0.0000 O   0  0
  -10.0883    2.4089    0.0000 C   0  0  1  0  0  0
  -10.0945    3.9089    0.0000 O   0  0
   -6.1791    0.1704    0.0000 C   0  0  2  0  0  0
   -7.4746   -0.5857    0.0000 O   0  0
   -4.8766   -0.5735    0.0000 C   0  0  1  0  0  0
   -4.8726   -2.0743    0.0000 O   0  0
   -6.1699   -2.8290    0.0000 C   0  0  2  0  0  0
   -7.4700   -2.0806    0.0000 O   0  0
   -8.7681   -2.8322    0.0000 C   0  0
   -8.7662   -4.3322    0.0000 C   0  0  1  0  0  0
  -10.0643   -5.0838    0.0000 O   0  0
   -7.4662   -5.0806    0.0000 C   0  0  2  0  0  0
   -7.4644   -6.5806    0.0000 O   0  0
   -6.1681   -4.3290    0.0000 C   0  0  1  0  0  0
   -4.8682   -5.0774    0.0000 O   0  0
    0.2000   -0.5500    0.0000 C   0  0  1  0  0  0
    1.5132   -1.2750    0.0000 C   0  0
   -1.1013   -1.2617    0.0000 C   0  0
   -1.1460   -2.2607    0.0000 O   0  0
    6.1500    4.9500    0.0000 C   0  0  2  0  0  0
    6.1500    6.5000    0.0000 C   0  0
    7.3600    7.3700    0.0000 C   0  0  2  0  0  0
    8.6771    8.0878    0.0000 C   0  0
    6.0577    8.1143    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  6
 19 18  1  6
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  2  3
 24 25  1  0
 26 25  1  1
 26 27  1  0
 27 21  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  0
 31 30  1  1
 31 32  1  0
 32 26  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  1
 38 37  1  1
 38 39  1  0
 39 40  1  0
 40 41  1  1
 41 42  1  0
 41 43  2  0
 40 44  1  0
 44 45  1  6
 46 45  1  1
 46 47  1  0
 47 48  1  0
 48 49  1  6
 49 50  1  0
 48 51  1  0
 51 52  1  1
 51 53  1  0
 53 54  1  6
 53 55  1  0
 55 46  1  0
 55 56  1  1
 44 57  1  0
 57 58  1  1
 57 59  1  0
 59 38  1  0
 59 60  1  6
 61 60  1  1
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  1  6
 64 66  1  0
 66 67  1  1
 66 68  1  0
 68 61  1  0
 68 69  1  6
 36 70  1  0
 70 31  1  0
 70 71  1  6
 70 72  1  0
 72 73  1  0
 23 74  1  0
 74 14  1  0
 74 75  1  6
 75 76  1  0
 76 17  1  0
 76 77  1  6
 76 78  1  0
M  CHG  2   1   1  42  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13085

> <plate>
PLATE 002

> <well>
B5

> <supplier_cmpd_name>
Sodium Aescinate

> <ctcr_id>
11160

> <supplier_cmpd_id>
T3027

> <smiles>
[Na+].CC(=O)OC(C)C(C)C(=O)OC[C@@]98[C@@H](O)[C@H]7O[C@@H]9C[C@]6(C)C(=CC[C@H]5[C@@]6(C)CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]3O[C@H](C([O-])=O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3
O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]4(C)CO)[C@@H]8C[C@@]7(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3027,"Sodium Aescinate"}

> <pdid>

> <targets>
{HIF-1¦Á}

> <classes>
{Angiogenesis,Chromatin/Epigenetic}

> <pubchem_cids>
{133640196}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 41 46  0  0  0  0            999 V2000
   -3.1981   -2.5320    0.0000 C   0  0
   -4.6859   -2.7233    0.0000 C   0  0
   -5.5950   -1.5302    0.0000 C   0  0
   -5.2654   -4.1077    0.0000 N   0  0
   -4.3533   -5.2996    0.0000 C   0  0
   -2.8675   -5.1069    0.0000 C   0  0
   -2.1519   -3.7886    0.0000 O   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -0.4810   -5.5489    0.0000 C   0  0
    0.8417   -6.2564    0.0000 O   0  0
   -1.8348   -6.1949    0.0000 C   0  0
   -2.1080   -7.6698    0.0000 O   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -6.7537   -4.3007    0.0000 C   0  0
   -7.8926   -3.3810    0.0000 C   0  0
   -8.8056   -4.5711    0.0000 C   0  0
  -10.2871   -4.7696    0.0000 C   0  0
  -10.8593   -6.1571    0.0000 C   0  0
  -12.3468   -6.3563    0.0000 C   0  0
  -13.0407   -7.6718    0.0000 N   0  0
  -14.5147   -7.3985    0.0000 C   0  0
  -15.7046   -8.3119    0.0000 C   0  0
  -17.0905   -7.7381    0.0000 C   0  0
  -17.2866   -6.2510    0.0000 C   0  0
  -16.0967   -5.3376    0.0000 C   0  0
  -14.7108   -5.9114    0.0000 C   0  0
  -13.3579   -5.2655    0.0000 N   0  0
  -18.6733   -5.6769    0.0000 C   0  0
  -19.8637   -6.5895    0.0000 C   0  0
  -18.8688   -4.1897    0.0000 C   0  0
  -20.0589   -5.1024    0.0000 C   0  0
   -7.6155   -5.4841    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11  6  1  0
 11 12  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 16  1  0
  4 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 35 36  1  0
 36 28  1  0
 33 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 25 41  1  0
 41 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13086

> <plate>
PLATE 002

> <well>
B6

> <supplier_cmpd_name>
Pinometostat

> <ctcr_id>
2654

> <supplier_cmpd_id>
T3099

> <smiles>
CC(C)N(CC1OC(C(O)C1O)n2cnc3c(N)ncnc23)C4CC(CCc5nc6ccc(cc6[nH]5)C(C)(C)C)C4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{DOT1L}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{SCHEMBL16099758,SCHEMBL16100246,HMS3652H20,HMS3747C11,BCP07426,AKOS032947276,AK546533,FT-0696827,FT0696827,"EPZ-5676; EPZ 5676;EPZ5676","EPZ5676; EPZ 5676;EPZ5676",T3099,S7062,Pinometostat,EPZ5676}

> <pdid>
PD013052

> <targets>
{"Histone Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{76518457}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -3.9148   -9.7490    0.0000 C   0  0
   -5.2156  -10.4976    0.0000 C   0  0
   -6.5133   -9.7453    0.0000 O   0  0
   -5.2187  -11.9984    0.0000 N   0  0
   -6.5188  -12.7465    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  3  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13087

> <plate>
PLATE 002

> <well>
B7

> <supplier_cmpd_name>
CUDC-101

> <ctcr_id>
1901

> <supplier_cmpd_id>
T3108

> <smiles>
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO

> <pd_targets>
{HDAC4,ERBB2,HDAC9,HDAC10,EGFR,HDAC7,ABL1,HDAC1,HDAC3,HDAC8,LCK,HDAC5,LYN,HDAC2,HDAC6,FLT3,RET,FGFR2,KDR,SRC,HDAC11}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,"Histone deacetylase","Protein Kinase","HDAC class IIa","TK protein kinase group","HDAC class IIb","HDAC class I","Tyrosine protein kinase EGFR family","Ty
rosine protein kinase Abl family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","Tyrosine prote
in kinase VEGFR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Catalytic receptors","3.5.1.- Histone deacetylases (HDACs)","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor 
tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type V RT
Ks: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology",Disease,"Signal Transduction","Cell Cycle","RNA Polymerase II Transcription","Nervous system development","Diseases of signal transduction by
 growth factor receptors and second messengers","Signaling by GPCR","Infectious disease","Disorders of Developmental Biology",Mitotic,"Signaling by Receptor Tyrosine Kinases","Generic Transcription Pa
thway","Axon guidance","Signaling by NOTCH1 in Cancer","GPCR downstream signalling","Leishmania infection","Disorders of Nervous System Development","M Phase","HIV Infection","Signaling by Insulin rec
eptor","Signaling by FGFR in disease","Signaling by VEGF","Signaling by NTRKs","Transcriptional regulation by RUNX2","Semaphorin interactions","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G
 alpha (q) signalling events","Parasite infection","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","Host Interactions of HIV factors","Leishmania parasite growth and survival","Tr
anscriptional Regulation by TP53","Insulin receptor signalling cascade","RET signaling","Signaling by FGFR2 in disease","VEGFA-VEGFR2 Pathway","Signaling by NTRK1 (TRKA)","RUNX2 regulates bone develop
ment","Sema4D in semaphorin signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phagocytosis","Loss of function of MECP2
 in Rett syndrome","Mitotic Anaphase","The role of Nef in HIV-1 replication and disease pathogenesis","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity"
,"IRS-mediated signalling","FGFR2 mutant receptor activation","VEGFR2 mediated cell proliferation","Signalling to ERKs","RUNX2 regulates chondrocyte maturation","Sema4D induced cell migration and grow
th-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the NCoR/SMRT complex","Separation of Si
ster Chromatids","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Activity through Acetylation","RU
NX2 regulates osteoblast differentiation","PI3K Cascade","Activated point mutants of FGFR2","Signalling to RAS","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{CUDC-101,CUDC101,1012054-59-9,1012054599,"CUDC 101",UNII-1A7Y9MP123,UNII1A7Y9MP123,CHEMBL598797,1A7Y9MP123,7-(4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl)oxy-N-hydroxyheptanamide,7(4(3ethynylanilin
o)7methoxyquinazolin6yl)oxyNhydroxyheptanamide,PubChem19149,"CUDC-101, Free Base","CUDC101, Free Base",SCHEMBL93769,MLS006010163,GTPL8894,AOB6495,DTXSID00143784,E,T3108,S1194}

> <pdid>
PD011097

> <targets>
{HER2,EGFR,HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{24756910}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 S   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10  3  1  0
  9 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13088

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
Thioguanine

> <ctcr_id>
11333

> <supplier_cmpd_id>
T3089

> <smiles>
c1nc2c([nH]1)c(=S)nc([nH]2)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{6-Thioguanine,6Thioguanine,thioguanine,154-42-7,154427,Tioguanine,2-Amino-6-mercaptopurine,2Amino6mercaptopurine,6-Mercaptoguanine,6Mercaptoguanine,Tioguanin,Tabloid,Lanvis,2-Amino-6-purinethiol,2Ami
no6purinethiol,"2-Amino 6MP","2Amino 6MP",2-Aminopurin-6-thiol,2Aminopurin6thiol,2-Aminopurine-6-thiol,2Aminopurine6thiol,2-Aminopurine-6(1H)-thione,2Aminopurine6(1H)thione,"Wellcome U3B",6-Mercap,6Me
rcap,T3089,T2A2537,Thioguanine,Guanine}

> <pdid>

> <targets>
{DNMT1}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{2723601}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
   -0.0001  -12.0006    0.0000 C   0  0
   -1.2978  -12.7528    0.0000 O   0  0
    1.3007  -12.7491    0.0000 O   0  0
    1.3038  -14.2500    0.0000 C   0  0
    2.6046  -14.9985    0.0000 C   0  0
    2.6098  -16.4986    0.0000 C   0  0
    3.9114  -17.2441    0.0000 C   0  0
    5.2079  -16.4896    0.0000 C   0  0
    5.2027  -14.9896    0.0000 N   0  0
    3.9011  -14.2441    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 14 27  1  0
 27 28  2  0
 28 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13089

> <plate>
PLATE 002

> <well>
B9

> <supplier_cmpd_name>
Entinostat

> <ctcr_id>
4609

> <supplier_cmpd_id>
T6233

> <smiles>
Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2

> <pd_targets>
{CYP3A4,HDAC3,HDAC1,HDAC6,HDAC2,HDAC4,HDAC10,HDAC11,HDAC5,HDAC7,HDAC8,HDAC9,NCOR2,F3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Cytochrome P450",Eraser,"Cytochrome P450 family 3","Histone deacetylase","Cytochrome P450 family 3A","HDAC class I","HDAC class IIb","HDAC class IIa
","HDAC class IV","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Chromatin modifying enzymes","CYP3 family","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Cell Cycle","Signal Transduction","Metabolism of lipids","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases
 of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Biosynthesis of specialized proresolving mediators (SPMs)","Disorders of Nervous Sys
tem Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Signaling by NTRKs","Biosynthesis of DHA-derived SPMs","Pervasive developmental disorders","Transcriptional 
regulation by RUNX2","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Biosynthesis of maresins"
,"Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Regulation of TP53 Activity","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Nuclear Eve
nts (kinase and transcription factor activation)","Biosynthesis of maresin-like SPMs","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulat
es osteoblast differentiation","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte maturation","Separation of Sister Chromatids","NGF-stimulated transcription"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{S27,Entinostat,209783-80-2,209783802,ms-275,ms275,SNDX-275,SNDX275,"MS 275",MS-27-275,MS27275,"SNDX 275","Entinostat (MS-275)","Entinostat (MS275)",MS275,"MS 27-275","MS 27275","pyridin-3-ylmethyl 4-
((2-aminophenyl)carbamoyl)benzylcarbamate","pyridin3ylmethyl 4((2aminophenyl)carbamoyl)benzylcarbamate","pyridin-3-ylmethyl N-((4-((2-aminophenyl)carbamoyl)phenyl)methyl)carbamat","pyridin3ylmethyl N(
(4((2aminophenyl)carbamoyl)phenyl)methyl)carbamat",T6233,S1053,"Entinostat (MS-275, SNDX-275)",MS-275}

> <pdid>
PD003328

> <targets>
{HDAC Inhibitors,Apoptosis,Autophagy,HDAC}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{4261}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 43 49  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4134    4.4924    0.0000 C   0  0
    3.9053    4.6489    0.0000 O   0  0
    1.5317    5.7059    0.0000 C   0  0
    0.0400    5.5491    0.0000 C   0  0
   -0.5701    4.1788    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 N   0  0
    1.3070   -8.2503    0.0000 C   0  0
    1.3071   -9.7503    0.0000 C   0  0
    0.0081  -10.5003    0.0000 C   0  0
   -1.2910   -9.7503    0.0000 C   0  0
   -1.2910   -8.2503    0.0000 C   0  0
    0.0081  -12.0011    0.0000 N   0  0
    1.3060  -12.7532    0.0000 C   0  0
    1.3036  -14.2532    0.0000 C   0  0
    0.0034  -15.0012    0.0000 C   0  0
   -1.2944  -14.2491    0.0000 C   0  0
   -1.2921  -12.7491    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8417    6.7626    0.0000 C   0  0
   -1.4181    5.3777    0.0000 O   0  0
   -1.6822    7.9814    0.0000 C   0  0
   -3.1799    7.8988    0.0000 C   0  0
   -0.2316    8.1329    0.0000 C   0  0
   -1.1133    9.3464    0.0000 O   0  0
    1.2601    8.2897    0.0000 O   0  0
    2.1418    7.0762    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13  4  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 18 34  1  0
 34 35  2  0
 35  3  1  0
 35 15  1  0
 10 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 36 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43  9  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13090

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
Irinotecan

> <ctcr_id>
5530

> <supplier_cmpd_id>
T6228

> <smiles>
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)C(O)(CC)C(=O)OC4

> <pd_targets>
{RMLC,NCOA1,NCOA3,HPGD,ALDH1A1,GLA,LMNA,KDM4E,HSD17B10,GAA,ACHE,MMP1,CYP3A4,PAX8,ADRA2C,SLC47A1,SLC22A3,SLC47A2,SLC22A1,CHRM4,SLC22A2,TOP1,TOP1MT}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Transporter,Isomerase,Writer,Oxidoreductase,Hydrolase,Eraser,Protease,"Cytochrome P450","Family A G pr
otein-coupled receptor","Electrochemical transporter","Histone acetyltransferase","Lysine demethylase","Cysteine protease","Metallo protease","Cytochrome P450 family 3","Small molecule receptor (famil
y A GPCR)","SLC superfamily of solute carriers","SRC family","Jumonji domain-containing","Cysteine protease CA clan","Metallo protease MAM clan","Cytochrome P450 family 3A","Monoamine receptor","SLC47
 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Cysteine protease C1A family","Metallo protease M10A subfamily","Cytochrome P450 3A4","A
drenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","3.2.1.- Glycosidases","Acetylcholine turnover","Peptidases and proteinases","Cytochrome P450","G protein-coupled re
ceptors","SLC superfamily of solute carriers","DNA topoisomerases","2.3.1.48 Histone acetyltransferases (HATs)","Prostaglandin synthases","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases",
"CYP3 family",Adrenoceptors,"SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Acetylcholine receptors (muscarinic)","M10: Matrix met
allopeptidase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Transport of small molecules","Metabolism of proteins","Metabolism of lipids","Biological oxidations",Mitotic,"Metabolism of ami
no acids and derivatives","Diseases of metabolism","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane transport","Post-translational protein modification","Metabolis
m of steroids","Regulation of lipid metabolism by PPARalpha","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Sphingolipid metabolism","M Phase",
"Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Phospholipid metabolism","Signaling by Interleukins","GPCR ligand binding","Transport of bile salts and organic acids","me
tal ions and amine compounds",SUMOylation,"Bile acid and bile salt metabolism","PPARA activates gene expression","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Glycosphingolipid metabolism","
Mitotic Metaphase and Anaphase","Glycogen storage diseases","Glycerophospholipid biosynthesis","Interleukin-4 and Interleukin-13 signaling","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion
/zwitterion transport","SUMO E3 ligases SUMOylate target proteins","Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","Mitotic Anaphase","Glycogen storage disease type II (G
AA)","Synthesis of PC","Biosynthesis of maresins","Amine ligand-binding receptors","Organic cation transport","SUMOylation of DNA replication proteins","Synthesis of bile acids and bile salts via 27-h
ydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LSM-4269,LSM4269,CHEMBL10456,SCHEMBL12313065,CHEBI:93762,STL483712,AKOS037483529,NCGC00167833-01,NCGC0016783301,FT-0602416,FT0602416,Q27165452,T6228,S1198,Irinotecan}

> <pdid>
PD009733

> <targets>
{Topoisomerase}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{3750}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.1471   -2.9705    0.0000 N   0  0
   -4.6471   -2.9705    0.0000 N   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  7  1  0
 15 10  1  0
 14 16  1  0
 16  4  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13091

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
Pyrazolanthrone

> <ctcr_id>
11925

> <supplier_cmpd_id>
T3109

> <smiles>
c1ccc2c(c1)c1n[nH]c3cccc(c13)c2=O

> <pd_targets>
{MAPK10,MAPK9,MAPK8,EIF2AK2,TTK,JAK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","TK protein kinase group","CMGC protein kinase MAPK family","Other protein kinase PEK family","Other protein ki
nase TTK family","Tyrosine protein kinase JakA family","CMGC protein kinase JNK subfamily","Other protein kinase PKR"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","Other protein kina
ses","TK: Tyrosine kinase","JNK subfamily","PEK family","TTK family","Non-receptor tyrosine kinases (nRTKs)","Other PEK family kinases","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Infectious disease","Cytokine Signaling in Immune system","Toll-like Receptor Cascades","Influenza Infection","Signaling by Interleukins","Toll Like Re
ceptor 5 (TLR5) Cascade","NS1 Mediated Effects on Host Pathways","Interleukin-2 family signaling","MyD88 cascade initiated on plasma membrane","Inhibition of PKR","Interleukin-15 signaling","MAP kinas
e activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{129-56-6,129566,"1,9-Pyrazoloanthrone","1,9Pyrazoloanthrone",SP600125,Pyrazolanthrone,"Dibenzo(cd,g)indazol-6(2H)-one","Dibenzo(cd,g)indazol6(2H)one",Pyrazoleanthrone,"SP 600125","Anthra(1,9-cd)pyraz
ol-6(2H)-one","Anthra(1,9cd)pyrazol6(2H)one",SP-600125,"Anthra-1,9-pyrazol-6-none","Anthra1,9pyrazol6none","JNK Inhibitor II",2H-Dibenzo(cd,2HDibenzo(cd,g)indazol-6-on,g)indazol6on,T3109}

> <pdid>
PD002737

> <targets>
{JNK,"Aurora A",JNK1,JNK2,JNK3,TrkA}

> <classes>
{"Cell Cycle/Checkpoint",MAPK,"Tyrosine Kinase/Adaptors",Chromatin/Epigenetic}

> <pubchem_cids>
{8515}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  3
   -3.8976   -0.7554    0.0000 O   0  5
   -2.5951   -3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  2  11   1  12  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13092

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
Iniparib

> <ctcr_id>
2716

> <supplier_cmpd_id>
T6224

> <smiles>
NC(=O)c1ccc(I)c(c1)[N+]([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{SI20,4-Iodo-3-nitrobenzamide,4Iodo3nitrobenzamide,Iniparib,160003-66-7,160003667,BSI-201,BSI201,"Iniparib (BSI-201)","Iniparib (BSI201)","BSI 201","Benzamide, 4-iodo-3-nitro-","Benzamide, 4iodo3nitro
",SAR240550,IND-71677,IND71677,UNII-2ZWI7KHK8F,UNII2ZWI7KHK8F,NSC-746045,NSC746045,2ZWI7KHK8F,4-iodo-3-nitro-benzamide,4iodo3nitrobenzamide,NIBA,INO2BA,"Iniparib (USAN:INN)",4tki,SAR-2,SAR2,T6224,S108
7}

> <pdid>
PD011149

> <targets>
{PARP,Influenza Virus}

> <classes>
{Anti-infection,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{9796068}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13093

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
Imatinib

> <ctcr_id>
1820

> <supplier_cmpd_id>
T6230

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3

> <pd_targets>
{S,MAPK10,FYN,CLK1,CLK4,MAPK8,PDGFRA,DDR1,BRAF,ABL1,BCR,PDGFRB,FGR,GAK,LCK,MELK,KIT,SYK,CA7,NQO2,CDK19,KARS1,KDR,LMNA,FRK,TYK2,CA12,CA2,PLK2,PLK4,CA13,CA15,IRAK1,EPHA8,CYP3A4,ABL2,MAPK9,SRC,ABCB11,STK
17A,RAF1,DDR2,TNNI3K,MAP3K20,LYN,CSF1R,EGFR,MAPK14,CA9,CA4,CA5B,PIP4K2C,BLK,CA3,CA14,ALB,ABCB1,CA6,CA1,FLT3,CA5A,HIPK4,MAPK11,MAPK12,MAPK13,REP,RORC,TAOK1,RAD52,HRH2,SLC47A2,SLC22A3,ABCG2,SLC6A4,TBXAS
1,SLC47A1,SLC22A2,HTR2A,RET,NTRK1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,"Secreted protein","Transcription factor","Membrane receptor",Kinase,Protease,Lyase,Oxidoreductase,"Cytochrome P450","Primary active transporter",Transferas
e,"Nuclear receptor","Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase","Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","Nuclear hormone recepto
r subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 5","CMGC protein kinase group","TK protein kinase group","TKL protein kinase group
","Atypical protein kinase group","Cysteine protease CA clan","Other protein kinase group","CAMK protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","Nuclear hormone receptor subfamily 
1 group F","STE protein kinase group","Monoamine receptor","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC06 
neurotransmitter transporter family","Cytochrome P450 family 5A","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR 
family","Tyrosine protein kinase DDR family","TKL protein kinase RAF family","Atypical protein kinase BCR family","Cysteine protease C1A family","Tyrosine protein kinase Abl family","Other protein kin
ase NAK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase CDK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","O
ther protein kinase PLK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Cytochrome P450 3A4","CAMK protein kinase DAPK family","TKL protein kinase MLK family","Tyrosine 
protein kinase EGFR family","CMGC protein kinase DYRK family","Nuclear hormone receptor subfamily 1 group F member 3","STE protein kinase STE20 family","Histamine receptor","Cytochrome P450 5A1","Sero
tonin receptor","Tyrosine protein kinase Trk family","CMGC protein kinase JNK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","Other
 protein kinase PLK2","TKL protein kinase HH498 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase TAO subfamily
"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transporters,"Anti-infective targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Carbonic anhydrases","Cytochrome P450","ATP-binding cassette transporter 
family","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK:
 Calcium/calmodulin-dependent protein kinases","CYP3 family","ABCB subfamily","Lipid modifying kinases","1F. Retinoic acid-related orphans","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 
kinases","Histamine receptors","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC6 neurotransmitter transporter 
family",CYP5,"CYP7 and CYP8 families","5-Hydroxytryptamine receptors",Atypical,"Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","CLK family","TKL: T
yrosine kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-ph
osphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Organic cation transporters (OCT)","Monoamine transporter subfamily","BCR famil
y","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","RAF family","Numb-associated kinase (NAK) family","MELK subfamily","CDK8 subfamily","Polo-like kinase (PL
K) family","Interleukin-1 receptor-associated kinase (IRAK) family","Mixed Lineage Kinase (MLK) family","p38 subfamily","HIPK subfamily","TAO subfamily","Src family","Type III RTKs: PDGFR",CSFR,Kit,"F
LT3 receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Janus kinase (JakA) family","T
ype XIII RTKs: Ephrin receptor family","HH498 subfamily","MLK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Immune System","Extracellular matrix organization","Signal Transduction","Vesicle-mediated transport",Metabolism,"Metabolism of proteins","Cell Cycle","Transport of small molecules","Develop
mental Biology","Gene expression (Transcription)","Cellular responses to external stimuli","DNA Repair","Neuronal System","Infectious disease","Innate Immune System","Diseases of signal transduction b
y growth factor receptors and second messengers","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Membrane Trafficking","Intracellular signaling by second messengers"
,"Reversible hydration of carbon dioxide","Biological oxidations","Metabolism of lipids",Translation,Mitotic,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Nervous system dev
elopment","MAPK family signaling cascades","RNA Polymerase II Transcription","Signaling by GPCR","Cellular responses to stress","Abacavir transport and metabolism","DNA Double-Strand Break Repair","SL
C-mediated transmembrane transport","Transmission across Chemical Synapses","SARS-CoV Infections","Toll-like Receptor Cascades","HIV Infection","Signaling by PDGFR in disease","Signaling by NTRKs","Le
ishmania infection","trans-Golgi Network Vesicle Budding","Signaling by KIT in disease","PIP3 activates AKT signaling","Phase I - Functionalization of compounds","Regulation of lipid metabolism by PPA
Ralpha","tRNA Aminoacylation","Signaling by VEGF","M Phase","Interferon Signaling","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G2-G2/M phases","Axon guidance","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Metabolism of steroids","MAPK1/MAPK3 signaling","Generic Transcription Pathway","GPCR downstream signalling","Cellular response to hypoxia","Abacavir transmem
brane transport","Signaling by Interleukins","Signaling by Insulin receptor","Homology Directed Repair","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter c
learance","GPCR ligand binding","Signaling by FGFR in disease","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Drug resistance of PDGFR mutants","Signa
ling by NTRK1 (TRKA)","Parasite infection","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network
","PPARA activates gene expression","Cytosolic tRNA aminoacylation","VEGFA-VEGFR2 Pathway","Mitotic Metaphase and Anaphase","PTEN Regulation","Interferon alpha/beta signaling","G2/M Transition","EPH-E
phrin signaling","Biosynthesis of DHA-derived SPMs","Signaling by ROBO receptors","Bile acid and bile salt metabolism","RAF/MAP kinase cascade","Transcriptional Regulation by VENTX","G alpha (q) signa
lling events","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","Interleukin-12 family signaling","Insulin receptor
 signalling cascade","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion transport","Serotonin clearanc
e from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Signaling by FGFR1 in disease","Translation of structural proteins","MyD88 cascade ini
tiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Imatinib-resistant PDGFR mutants","Signalling to ERKs","Leishmania phagocytosis","Anti-inflammatory response
 favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGFR2 mediated cell proliferation","Mitotic Anaphase","Regulation of PTEN
 stability and activity","Regulation of IFNA signaling","Centrosome maturation","EPHA-mediated growth cone collapse","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Synthesis of bile 
acids and bile salts","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","RUNX1 regulates transcription of genes involved in BCR sig
naling","Recycling of bile acids and salts","Interleukin-12 signaling","IRS-mediated signalling","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration",
"HDR through Single Strand Annealing (SSA)","Organic cation transport",Eicosanoids,"Amine ligand-binding receptors","FGFR1 mutant receptor activation","Maturation of spike protein","MAP kinase activat
ion","Nef and signal transduction","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Nuclear Envelope (NE) Reassembly","CD163 mediating an anti-inflammatory response","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Biosynthesis of maresin-like SPMs","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Negative feedback regulation of MAPK pathway","EGFR Transactivation by 
Gastrin","Regulation of TP53 Activity through Acetylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Replication of the SARS-CoV-1 genome","S
eparation of Sister Chromatids","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Signaling by cytosolic FGFR1 fusion mutants","MAPK targets/ Nuclear events mediated by 
MAP kinases","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK ac
tivation","p38MAPK events","PI5P Regulates TP53 Acetylation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,CSF1R,DDR1,KIT,NTRK1,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{Imatinib,152459-95-5,152459955,STI571,Glivec,"Imatinib (STI571)",sti-571,sti571,"Imatinib free base","Cgp 57148","STI 571",UNII-BKJ8M8G5HI,UNIIBKJ8M8G5HI,"Imatinib Methansulfonate",CGP-57148,CGP57148
,"152459-95-5 (free base)","152459955 (free base)",BKJ8M8G5HI,CHEMBL941,CHEBI:45783,NSC743414,"Imatinib (INN:BAN",T6230,743414,S2475,Prestw-1290,"NSC 743414",imatinib,Imatinib(STI571),IMATINIB,"Imatin
ib mesylate"}

> <pdid>
PD001319

> <targets>
{c-Kit,KIT,ABL,VEGFR-PDGFR,PDGFR}

> <classes>
{"Tyrosine kinase inhibitor"}

> <pubchem_cids>
{5291}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 10  1  0
 20 15  1  0
 11 21  1  0
 21 22  2  0
 22  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13094

> <plate>
PLATE 002

> <well>
C4

> <supplier_cmpd_name>
PJ34

> <ctcr_id>
11670

> <supplier_cmpd_id>
T6197

> <smiles>
CN(C)CC(=O)Nc1cc2c([nH]c(=O)c3ccccc23)cc1

> <pd_targets>
{PARP1,PARP3,TNKS,PARP2,PARP10,PARP15,PARP12,PARP4,PARP14,TNKS2,TRPM2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,"Voltage-gated ion channel","Transient receptor potential channel"}

> <pathway_chembl>
{Enzymes,"Ion channels","Poly ADP-ribose polymerases","Voltage-gated ion channels","Transient Receptor Potential channels"}

> <pathway_reactome>
{Disease,"Signal Transduction","DNA Repair","Transport of small molecules","Infectious disease","Intracellular signaling by second messengers","Base Excision Repair","Ion channel transport","Influenza
 Infection","PIP3 activates AKT signaling","Resolution of Abasic Sites (AP sites)","SARS-CoV Infections","Stimuli-sensing channels","Influenza Viral RNA Transcription and Replication","PTEN Regulation
","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","SARS-CoV-1 Infection","TRP channels","vRNA Synthesis","Regulation of PTEN stability and activity","POLB-Dependent Long
 Patch Base Excision Repair","Translation of structural proteins","Maturation of nucleoprotein"}

> <broad_targets>
{EEF2,PARP1,PARP15,PARP3}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{PJ34,344458-19-1,344458191,pj-34,pj34,"N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE","N~2~,N~2~DIMETHYLN~1~(6OXO5,6DIHYDROPHENANTHRIDIN2YL)GLYCINAMIDE",2-(dimethylamino)-N
-(6-oxo-5H-phenanthridin-2-yl)acetamide,2(dimethylamino)N(6oxo5Hphenanthridin2yl)acetamide,"2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide","2(dimethylamino)N(6oxo5,6dihydrophenant
hridin2yl)acetamide",CHEMBL372303,P34,"PJ 34",T6197}

> <pdid>
PD004483

> <targets>
{PARP1,PARP2}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{4858}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 36  0  0  1  0            999 V2000
    1.3258   -1.4931    0.0000 C   0  0
    2.6400   -0.7700    0.0000 C   0  0  2  0  0  0
    3.8100   -1.3900    0.0000 C   0  0
    4.1081   -2.8601    0.0000 O   0  0
    4.3800   -0.6900    0.0000 O   0  0
    3.9700    0.2400    0.0000 C   0  0
    2.7300    1.5000    0.0000 C   0  0  2  0  0  0
    3.0900    2.9562    0.0000 O   0  0
    0.6600    0.8400    0.0000 C   0  0
   -0.5100    1.5800    0.0000 C   0  0  2  0  0  0
    0.2400    3.0100    0.0000 O   0  0
    1.2700    2.6700    0.0000 C   0  0
    2.4490    3.5973    0.0000 O   0  0
    1.4800    0.0800    0.0000 C   0  0  2  0  0  0
    1.1100   -0.8600    0.0000 O   0  0
    0.0000   -0.7300    0.0000 C   0  0  2  0  0  0
   -0.6700   -1.8700    0.0000 O   0  0
   -1.7000   -1.8700    0.0000 C   0  0
   -2.6546   -3.0271    0.0000 O   0  0
   -1.9400   -0.6300    0.0000 C   0  0  2  0  0  0
   -3.3537   -0.1287    0.0000 O   0  0
   -0.7600    0.3600    0.0000 C   0  0  2  0  0  0
   -3.6100    0.9900    0.0000 C   0  0  1  0  0  0
   -1.5200    0.9900    0.0000 C   0  0  1  0  0  0
   -1.1281   -0.4579    0.0000 O   0  0
   -5.0763    1.0326    0.0000 C   0  0
   -5.8686   -0.2411    0.0000 C   0  0
   -5.7837    2.3554    0.0000 C   0  0
   -6.5755    1.0816    0.0000 C   0  0
    2.7300    0.3900    0.0000 C   0  0  1  0  0  0
    1.7607   -0.7548    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  0
 10 11  1  1
 11 12  1  0
 12 13  2  0
 14 12  1  6
 14  9  1  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  6
 20 22  1  0
 22  9  1  6
 22 16  1  0
 22 23  1  0
 23 24  1  0
 24 10  1  0
 24 25  1  6
 23 26  1  6
 26 27  1  0
 26 28  1  0
 26 29  1  0
 14 30  1  0
 30  2  1  0
 30  6  1  0
 30 31  1  1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13095

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
Ginkgolide C

> <ctcr_id>
3005

> <supplier_cmpd_id>
T2750

> <smiles>
C[C@@H]1C(=O)OC2[C@H](O)C34[C@@H]5OC(=O)[C@@]3(O[C@@H]6OC(=O)[C@H](O)[C@]46[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O

> <pd_targets>
{PTAFR}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","PAF receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Platelet-activating factor receptor"}

> <pathway_reactome>
{"Immune System","Cytokine Signaling in Immune system","Interferon Signaling","Interferon gamma signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Spectrum_001180,Spectrum001180,Spectrum-001180,"Spectrum 001180",SpecPlus_000376,SpecPlus000376,SpecPlus-000376,"SpecPlus 000376",Spectrum2_001378,Spectrum2001378,Spectrum2-001378,"Spectrum2 001378",
Spectrum3_001414,Spectrum3001414,Spectrum3-001414,"Spectrum3 001414",Spectrum4_001878,Spectrum4001878,Spectrum4-001878,"Spectrum4 001878",Spectrum5_000476,Spectrum5000476,Spectrum5-000476,"Spectrum5 0
00476",BSPBio_003088,BSPBio003088,BSPBio-003088,"BSPBio 003088",KBioGR_002379,KBioGR002379,KBioGR-002379,"KBioGR 002379",KBioSS_001660,KBioSS001660,KBioSS-001660,"KBioSS 001660",DivK1c_006472,DivK1c00
6472,DivK1c-006472,"DivK1c 006472",SPECTRUM1500984,SPBio_001336,SPBio001336,SPBio-001336,"SPBio 001336",KBio1_001416,KBio1001416,KBio1-001416,"KBio1 001416",KBio2_001660,KBio2001660,KBio2-001660,"KBio
2 001660",KBio2_004228,KBio2004228,KBio2-004228,"KBio2 004228",KBio2_006796,KBio2006796,KBio2-006796,"KBio2 006796",KBio3_,KBio3,KBio3-,T2750,1500984,"Ginkgolide C","GINKGOLIDE A"}

> <pdid>
PD008871

> <targets>
{AMPK,Endogenous Metabolite,MMP,Sirtuin}

> <classes>
{antibacterial,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease,PI3K/Akt/mTOR}

> <pubchem_cids>
{6708664}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 16  0  0  0  0            999 V2000
    6.3933   -1.1297    0.0000 Cl  0  0
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 C   0  0
   -5.2029    2.9932    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13096

> <plate>
PLATE 002

> <well>
C6

> <supplier_cmpd_name>
Procarbazine hydrochloride

> <ctcr_id>
6590

> <supplier_cmpd_id>
T1488

> <smiles>
Cl.CNNCc1ccc(cc1)C(=O)NC(C)C

> <pd_targets>
{ALDH1A1,ALOX15,CYP1A2,CYP2C19,LMNA,MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Oxidoreductase,"Cytochrome P450","Cytochrome P450 family 1","Cytochrome P450 family 2","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 1A1","Cy
tochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Cytochrome P450",Lipoxygenases,"CYP1 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations","Metabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Ethano
l oxidation","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Mitotic Anaphase","Biosynthes
is of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope 
(NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{RESTW111,"Procarbazine hydrochloride",366-70-1,366701,"PROCARBAZINE HCl",Matulane,Nathulane,Natunalar,"MIH hydrochloride","PCB hydrochloride","Procarbazine (Hydrochloride)","Ibenzmethyzine hydrochlor
ide",Natulan,NSC-77213,NSC77213,UNII-XH0NPH5ZX8,UNIIXH0NPH5ZX8,NCI-C01810,NCIC01810,N-isoprop,Nisoprop,T1488,77213,S1995,SAM001246564,Prestw-1112,"NSC 77213","Procarbazine HCl",CPD000469151}

> <pdid>
PD001685

> <targets>
{}

> <classes>
{"Alkylating agent"}

> <pubchem_cids>
{9703,441273,74764326}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 62 68  0  0  1  0            999 V2000
    2.3479   -2.2342    0.0000 C   0  0
    1.3857   -1.0835    0.0000 C   0  0
    1.9017    0.3250    0.0000 O   0  0
   -0.0927   -1.3420    0.0000 O   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  1  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    4.0400   -2.4900    0.0000 C   0  0
    4.0400   -1.0400    0.0000 C   0  0  1  0  0  0
    4.7600    0.2300    0.0000 O   0  0
    3.4900    0.9500    0.0000 C   0  0
    2.7600   -0.3100    0.0000 C   0  0  2  0  0  0
    3.9139    0.6592    0.0000 O   0  0
    3.6492    2.1365    0.0000 C   0  0
    2.2381    2.6452    0.0000 C   0  0
    4.7950    3.1046    0.0000 O   0  0
    1.4900   -1.0400    0.0000 C   0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  2  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -4.9103    1.2119    0.0000 C   0  0
   -3.6112    1.9619    0.0000 O   0  0
   -6.2098    1.9627    0.0000 C   0  0  2  0  0  0
   -7.5088    1.2126    0.0000 O   0  0
   -6.2103    3.4635    0.0000 C   0  0  1  0  0  0
   -7.5099    4.2143    0.0000 N   0  0
   -7.5104    5.7151    0.0000 C   0  0
   -6.2114    6.4651    0.0000 O   0  0
   -8.8099    6.4659    0.0000 C   0  0
   -8.8126    7.9659    0.0000 C   0  0
  -10.1130    8.7137    0.0000 C   0  0
  -11.4107    7.9614    0.0000 C   0  0
  -11.4081    6.4614    0.0000 C   0  0
  -10.1077    5.7137    0.0000 C   0  0
   -4.9107    4.2139    0.0000 C   0  0
   -4.9085    5.7140    0.0000 C   0  0
   -3.6085    6.4623    0.0000 C   0  0
   -2.3105    5.7105    0.0000 C   0  0
   -2.3125    4.2105    0.0000 C   0  0
   -3.6125    3.4623    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 13  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  1  0
 21  8  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 22 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  1
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  6
 39 41  1  0
 41 42  1  1
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 45  1  0
 41 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 51  1  0
 35 57  1  0
 57 58  2  3
 58  5  1  0
 58 59  1  0
 59 32  1  0
 59 60  1  0
 59 61  1  0
 57 62  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13097

> <plate>
PLATE 002

> <well>
C7

> <supplier_cmpd_name>
Paclitaxel

> <ctcr_id>
4999

> <supplier_cmpd_id>
T0968

> <smiles>
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C

> <pd_targets>
{KMT2A,MEN1,LMNA,ITGAV,ITGB3,TUBB2B,RORC,FFP,SLCO1B3,SLCO1B1,MAPT,CYP3A4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,PMP22,AMPC,THPO,NPSR1,BLM,ABCB11,TH
RB,HIF1A,MERTK,GROES,GROL,LEF,GMNN,CYP2C9,CCKAR,BOTA,RECQL,TUBB5,NR1I2,CYP1A2,MC5R,ERBB2,OPRD1,TACR2,MTOR,FYN,ABCB1,NOD2,TLR4,BCL2}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein","Membrane receptor","Structural protein",Enzyme,"Transcription factor",Transporter,"Other cytosolic protein","Unclassified protein","Ion channel",Reader
,Protease,"Nuclear receptor",Transferase,"Electrochemical transporter","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Primary active transporter",Kinase,"Other ion channel",Bromodo
main,"Cysteine protease","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","ATP-binding cassette","Protein Kinas
e","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Miscellaneous ion channel","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of
 organic anion transporting polypeptides","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 1 group A","TK protein kinase group"
,"Metallo protease MAE clan","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 1A","Atypical protein kinase group","Bcl-2 family","Cysteine protease C1
A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group A member 2","Tyrosine protein kinase Axl fam
ily","Metallo protease M34 family","Cytochrome P450 2C9","Cholecystokinin receptor","Metallo protease M27 family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 1A1","Melanoc
ortin receptor","Tyrosine protein kinase EGFR family","Opioid receptor","Neurokinin receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","Atypical protein kinase FRAP s
ubfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Catalytic receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Cytochrome P450","G protein-coupled receptors","ATP-bind
ing cassette transporter family",Tubulins,"Kinases (EC 2.7.x.x)","B-cell lymphoma 2 (Bcl-2) protein family",Integrins,"1F. Retinoic acid-related orphans","SLCO family of organic anion transporting pol
ypeptides","CYP3 family","Neuropeptide S receptor","ABCB subfamily","1A. Thyroid hormone receptors","Receptor kinases","CYP2 family: drug metabolising subset","Cholecystokinin receptors","1I. Vitamin 
D receptor-like receptors","CYP1 family","Melanocortin receptors","Opioid receptors","Tachykinin receptors",Atypical,"Pattern recognition receptors","TK: Tyrosine kinase","Phosphatidyl inositol 3' kin
ase-related kinases (PIKK) family","NOD-like receptor family","Toll-like receptor family","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Type XI RTKs: TAM
 (TYRO3-","AXL- and MER-TK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Metabolism,"Neuronal System","Developmental Biology",Hemostasis,Disease,"DNA Repair","Metabolism of proteins","Cellular responses to external stimuli","
Signal Transduction","Immune System",Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Nervous system development","Platelet activation","signal
ing and aggregation","Infectious disease","DNA Double-Strand Break Repair","Post-translational protein modification","Cellular responses to stress","Cell surface interactions at the vascular wall","Bi
ological oxidations","Signaling by GPCR","Abacavir transport and metabolism","Innate Immune System","M Phase","Generic Transcription Pathway","Metabolism of steroids","Neurotransmitter receptors and p
ostsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platelet Aggregation (Plug Formation)","L
eishmania infection","Homology Directed Repair",SUMOylation,"Cellular response to hypoxia","Uptake and actions of bacterial toxins","Mitotic G1 phase and G1/S transition","Phase I - Functionalization 
of compounds","GPCR ligand binding","Mitotic G2-G2/M phases","Axon guidance","HIV Infection","Abacavir transmembrane transport","Toll-like Receptor Cascades","Nucleotide-binding domain","leucine rich 
repeat containing receptor (NLR) signaling pathways","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","Activation of NMDA receptors and posts
ynaptic events","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SUMO E3 ligases SUMOylate ta
rget proteins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","G1/S Transition","Cytochrome P450 - arranged by substrate type","Clas
s A/1 (Rhodopsin-like receptors)","Neurotoxicity of clostridium toxins","G2/M Transition","Semaphorin interactions","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Toll Like R
eceptor 5 (TLR5) Cascade","Toll Like Receptor 4 (TLR4) Cascade",Inflammasomes,"Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Recycling of bile acids and salts","Post NMDA rec
eptor activation events","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","Synthesis of bile acids and bile 
salts","SUMOylation of intracellular receptors","Activation of the pre-replicative complex",Xenobiotics,"Peptide ligand-binding receptors","Toxicity of botulinum toxin type A (botA)","Centrosome matur
ation","Sema4D in semaphorin signaling","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","MyD88-independent TL
R4 cascade","The NLRP1 inflammasome","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines prod
uction","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Loss of proteins required for interphase microtubule org
anization from the centrosome","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Sema4D induced cell migration and growth-cone collapse","Tachykinin receptors bind tachykinins","Regu
lation of TP53 Expression and Degradation","Nef and signal transduction","MAP kinase activation","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Loss of Nlp from mitotic centrosomes","Sealing of the nuclear envelope (NE) by ESCRT-III","Regulation of TP53 Degradation","activated TAK1 mediates
 p38 MAPK activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TLR4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{SBI-0051168.P003,SBI0051168.P003,AB0008536,EU-0101201,EU0101201,P1632,C07394,paclitaxel,33069-62-4,33069624,C47H51NO14,"Paclitaxel - Taxol","Paclitaxel  Taxol",S1150_Selleck,S1150Selleck,S1150-Sellec
k,"S1150 Selleck",Spectrum_001536,Spectrum001536,Spectrum-001536,"Spectrum 001536",Spectrum2_000872,Spectrum2000872,Spectrum2-000872,"Spectrum2 000872",Spectrum3_001057,Spectrum3001057,Spectrum3-00105
7,"Spectrum3 001057",Spectrum4_001197,Spectrum4001197,Spectrum4-001197,"Spectrum4 001197",Spectrum5_001491,Spectrum5001491,Spectrum5-001491,"Spectrum5 001491",Probes2_000350,Probes2000350,Probes2-0003
50,"Probes2 000350",Lopac0_001201,Lopac0001201,Lopac0-001201,"Lopac0 001201",BSPBio_00115,BSPBio00115,BSPBio-00115,"BSPBio 00115",T3S2372,T0968,1503908,7-Epitaxol,Paclitaxel,PACLITAXEL}

> <pdid>
PD000814

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{441276}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 42 48  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0
    0.0133    5.9950    0.0000 C   0  0
    0.0185    7.4950    0.0000 O   0  0
   -1.2780    8.2495    0.0000 C   0  0
   -1.2728    9.7495    0.0000 C   0  0
   -2.5796    7.5040    0.0000 O   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 12  5  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  1  0
 13 17  1  6
 17 18  2  0
 14 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 23  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 21  1  0
 32 33  1  0
 19 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 36  2  0
 40 41  1  0
 41 42  2  0
 42 12  1  0
 42 34  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13098

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
Etoposide

> <ctcr_id>
4351

> <supplier_cmpd_id>
T0132

> <smiles>
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26

> <pd_targets>
{TOP2A,ALOX15,TOP2B,SLCO1B3,NCOA1,LMP1,NCOA3,BLM,LMNA,GAA,RECQL,PMP22,POLB,GMNN,APEX1,NPSR1,NFO,MTOR,KMT2A,MEN1,RORC}

> <pathway_gtopdb>
{Enzyme,Transporter,"Epigenetic regulator","Unclassified protein","Other nuclear protein","Membrane receptor","Transcription factor",Isomerase,Oxidoreductase,"Electrochemical transporter",Writer,Hydro
lase,"Family A G protein-coupled receptor",Kinase,Reader,"Nuclear receptor","SLC superfamily of solute carriers","Histone acetyltransferase","Peptide receptor (family A GPCR)","Protein Kinase",Bromodo
main,"Nuclear hormone receptor subfamily 1","SLC21/SLCO family of organic anion transporting polypeptides","SRC family","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Nuclea
r hormone receptor subfamily 1 group F","Neuropeptide receptor","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"DNA topoisomerases","Eicosanoid turnover","SLC superfamily of solute carriers","Chromatin modifying enzymes","3.2.1.- Glycosidases","G protein-coupled receptors","Kina
ses (EC 2.7.x.x)","Nuclear hormone receptors",Lipoxygenases,"SLCO family of organic anion transporting polypeptides","2.3.1.48 Histone acetyltransferases (HATs)","Neuropeptide S receptor",Atypical,"1F
. Retinoic acid-related orphans","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Metabolism of proteins","DNA Repair",Disease,"Developmental Biology","Gene expression (Transcription)",Mitotic,"Metabolism of lipids","Post-translational protein modification
","DNA Double-Strand Break Repair","Diseases of metabolism","Nervous system development","Base Excision Repair","Infectious disease","RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transi
tion","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Homology Directed Repair","M Phase","Diseases of c
arbohydrate metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","Leishmania infection","Generic Transcription Pathway","G0 and Early G1
","Biosynthesis of DPA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","PPARA activates gene expression","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","Leishmania 
parasite growth and survival","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Transcription of E2F targets under negative control by DREAM complex","Biosynthesis of DPAn-3 
SPMs","SUMOylation of DNA replication proteins","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Glycogen s
torage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","Regulat
ion of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acids and bile salts via 27-hydroxycholesterol",
"Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"Vepesid J","Epipodophyllotoxin VP-16213","Epipodophyllotoxin VP16213",VP-16,VP16,NSC141540,"Etopophos (Bristol Meyers)","4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside","4'Demethylepipo
dophyllotoxin ethylidene.beta.Dglucoside",BSPBio_001067,BSPBio001067,BSPBio-001067,"BSPBio 001067",KBioGR_000407,KBioGR000407,KBioGR-000407,"KBioGR 000407",KBioSS_000407,KBioSS000407,KBioSS-000407,"KB
ioSS 000407",CHEMBL16671,SCHEMBL5020107,BCBcMAP01_000114,BCBcMAP01000114,BCBcMAP01-000114,"BCBcMAP01 000114",KBio2_0004,KBio20004,KBio2-0004,"KBio2 0004",141540,"NSC 141540",Etoposide}

> <pdid>
PD001532

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{439525}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
   18.0927   -3.3779    0.0000 O   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    7.7928   -6.0048    0.0000 C   0  0
    7.7953   -7.5048    0.0000 O   0  0
    9.0914   -5.2526    0.0000 N   0  0
   10.3927   -6.0004    0.0000 C   0  0  1  0  0  0
   11.6914   -5.2481    0.0000 C   0  0
   12.9927   -5.9959    0.0000 C   0  0
   14.2914   -5.2437    0.0000 C   0  0
   14.2888   -3.7437    0.0000 O   0  0
   15.5920   -5.9910    0.0000 O   0  0
   10.3984   -7.5012    0.0000 C   0  0
    9.1020   -8.2557    0.0000 O   0  0
   11.6998   -8.2471    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15  8  1  0
 15 16  2  0
 16  5  1  0
  3 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 26 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13099

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
Methotrexate

> <ctcr_id>
2727

> <supplier_cmpd_id>
T1485

> <smiles>
O.CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

> <pd_targets>
{SKA,DFRA17,CASP1,DFRA,DHFR,FOLA,THYA,APE1,PTR1,KDM4E,CASP7,MAPT,HMGB1,KMT2A,MEN1,HSD17B10,TDP1,ALDH1A1,TP53,TYMS,LMNA,FFP,APEX1,SLC19A1,BLM,GLA,ALOX15,POLB,HPGD,LMP1,NCOA3,FOLR2,FPGS,SLC46A1,ABCC3,FO
LR1,ATIC,GART}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Membrane receptor",Kinase,Oxidoreductase,Protease,Transferas
e,Eraser,Reader,Hydrolase,"Electrochemical transporter",Writer,Ligase,"Primary active transporter","Cysteine protease","Metallo protease","Lysine demethylase",Bromodomain,"SLC superfamily of solute ca
rriers","Histone acetyltransferase","ATP-binding cassette","Cysteine protease CD clan","Metallo protease MH clan","Jumonji domain-containing","SLC19 family of vitamin transporters","SRC family","SLC46
 family of folate transporters","ABCC subfamily","Cysteine protease C14 family","Metallo protease M18 family"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","1.-.-.- Oxidoreductases","Chromatin modifying enzymes","2.1.1.- Methyltransferases","SLC superfamily of solute carriers","Eicosanoid turnover","ATP-
binding cassette transporter family","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","SLC19 family of vitamin transporters",Lipoxygenases,"Prostaglandin synthases","2.3.1.48 Histone ace
tyltransferases (HATs)","SLC46 family of folate transporters","ABCC subfamily","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Programmed Cell Death","Neuronal System","Immune System",Metabolism,"DNA Repair","Metabolism of proteins","RNA Polymerase II Transcription",Mitotic,Apo
ptosis,"Transmission across Chemical Synapses","Innate Immune System","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Biological oxidations","Cell Cycle Checkpoints","Bas
e Excision Repair","Metabolism of vitamins and cofactors","Metabolism of lipids","Post-translational protein modification","Metabolism of nucleotides","Generic Transcription Pathway","Mitotic G1 phase
 and G1/S transition","Intrinsic Pathway for Apoptosis","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Branched-chain amino acid catabolism","Nonhomol
ogous End-Joining (NHEJ)","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","M Phase","Resolution of Abasic Sites (AP sites)","Metabolism of water-soluble vitamins and cofactors
","Homology Directed Repair","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Regulation of lipid metabolism by PPARalpha","Metabolism of steroids","Asparagine N-
linked glycosylation","Nucleobase biosynthesis","Transcriptional Regulation by TP53","G1/S Transition","Apoptotic factor-mediated response","Activation of NMDA receptors and postsynaptic events","Toll
 Like Receptor 5 (TLR5) Cascade","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement p
athway","Metabolism of folate and pterines","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Glycosphingolipid metabolism","Biosynthesis of DPA-derived SPMs","Biosynthesi
s of DHA-derived SPMs","PPARA activates gene expression","Bile acid and bile salt metabolism","Transport to the Golgi and subsequent modification","Purine ribonucleoside monophosphate biosynthesis","T
P53 Regulates Transcription of Cell Death Genes","G1/S-Specific Transcription","Cytochrome c-mediated apoptotic response","Post NMDA receptor activation events","MyD88 cascade initiated on plasma memb
rane","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Biosynthesi
s of D-series resolvins","Recycling of bile acids and salts","ER to Golgi Anterograde Transport","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of caspases through apopt
osome-mediated cleavage","Activation of AMPK downstream of NMDARs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Ho
mologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived protectins and resolvins","Cargo concentration in the ER","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuc
lear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{"Methotrexate hydrate","Methotrexate monohydrate",133073-73-1,133073731,"Methotrexate hydrate(1:x)","Methotrexate xhydrate",6745-93-3,6745933,UNII-84DMZ3IHO0,UNII84DMZ3IHO0,84DMZ3IHO0,MLS001401431,MF
CD00150847,"L-Amethopterin hydrate","LAmethopterin hydrate",SMR000449324,Abitrexate(Methotrexate)/,M,T1485,SAM001246985,Methotrexate,CPD000449324}

> <pdid>
PD002823

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{165528}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    5.5492   -0.6679    0.0000 C   0  0
    6.1638    0.7004    0.0000 C   0  0
    7.6561    0.8524    0.0000 O   0  0
    8.5338   -0.3640    0.0000 C   0  0
    7.9192   -1.7323    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 N   0  0
    9.6940   -4.1288    0.0000 C   0  0
    9.0792   -5.4970    0.0000 O   0  0
   11.1872   -3.9775    0.0000 C   0  0
   12.0669   -5.1925    0.0000 C   0  0
   13.5589   -5.0382    0.0000 C   0  0
   14.4390   -6.2538    0.0000 C   0  0
   13.9625   -7.6627    0.0000 N   0  0
   15.1759   -8.5445    0.0000 C   0  0
   15.1757  -10.0428    0.0000 C   0  0
   13.8771  -10.7934    0.0000 F   0  0
   16.4749  -10.7925    0.0000 F   0  0
   15.1763  -11.5428    0.0000 F   0  0
   16.3895   -7.6630    0.0000 O   0  0
   15.9262   -6.2363    0.0000 N   0  0
   14.1714   -3.6689    0.0000 C   0  0
   13.2917   -2.4539    0.0000 C   0  0
   11.7997   -2.6082    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 12 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 27 32  1  0
 32 33  1  0
 33 25  2  0
 24 34  2  0
 34 35  1  0
 35 36  2  0
 36 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13100

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
TMP269

> <ctcr_id>
12331

> <supplier_cmpd_id>
T1857

> <smiles>
c1(nc(cs1)c1ccccc1)C1(CCOCC1)CNC(=O)c1cc(c2nc(C(F)(F)F)on2)ccc1

> <pd_targets>
{HDAC6,HDAC9,HDAC4,HDAC7,HDAC5,HDAC8}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIb","HDAC class IIa","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Generic Transcript
ion Pathway","Signaling by NOTCH1 in Cancer","M Phase","Transcriptional regulation by RUNX2","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Mitotic Metaphase and Anaphase","RUNX2 regulates bo
ne development","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Mitotic Anaphase","RUNX2 regulates osteoblast differentiation","RUNX2 regulates chondrocyte maturation","Separation of Sister
 Chromatids"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{TMP269,1314890-29-3,1314890293,TMP-269,"TMP 269",CHEMBL3110004,C25H21F3N4O3S,TMFO1,"compound 1 (PMID: 23524983)",GTPL7491,SCHEMBL6976560,AOB6266,EX-A452,EXA452,HMS3653K12,HMS3744M05,KUC113561N,BCP099
93,2760AH,BDBM50446481,MFCD26522023,s7324,ZINC95828732,AKOS02540522,T1857}

> <pdid>
PD010352

> <targets>
{HDAC4,HDAC5,HDAC7,HDAC9}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{53344908}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    6.0921   -5.7983    0.0000 N   0  0
    6.7064   -4.4299    0.0000 C   0  0
    7.3211   -3.0607    0.0000 C   0  0
    6.4434   -1.8433    0.0000 C   0  0  1  0  0  0
    7.0565   -0.4733    0.0000 C   0  0
    6.3038    0.8093    0.0000 C   0  0
    7.3128    1.9192    0.0000 C   0  0
    8.6802    1.3025    0.0000 C   0  0
    8.5162   -0.1885    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13101

> <plate>
PLATE 002

> <well>
C11

> <supplier_cmpd_name>
(R)-Ruxolitinib

> <ctcr_id>
7410

> <supplier_cmpd_id>
T1829

> <smiles>
N#CC[C@@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{IKBKE,ABL1,JAK2,RET,MAP4K4,LCK,GRK5,GSK3A,AURKB,JAK3,DYRK1B,FGFR1,CSNK1A1,CDK8,NTRK2,ALK,PRKAA1,DYRK1A,TAOK1,DAPK3,CLK2,LTK,PTK2,ROCK1,FYN,LRRK2,TNK2,PAK4,GSK3B,PRKACA,CAMK1D,CAMK2A,NTRK3,AURKA,PRKD3
,CLK4,MAP3K2,IKBKB,GRK7,CAMK2G,KIT,DCLK2,RPS6KA6,MKNK2,JAK1,PRKCE,VRK2,PLK4,PAK5,MAP3K19,TYK2,BMPR1B,CDK7,NEK7,MAP2K4,TTK,BRAF,ROCK2,BMPR2,STK26,RIPK4,RIOK1,BMP2K,MAP4K2,HDAC6,PI4KB,MAP2K1,CASK,CAMK2D
,SBK1,DCLK3,ANKK1,NTRK1,ULK3,CSNK2A1,PKNB,GAK,SRPK3,ULK2,MAST1,TAOK2,MARK2,TAOK3,RIOK3,PLK3,EPHB6,DCLK1,OXSR1,MAPK8,GRK1,CAMK1,STK17B,DMPK,CAMK2B,ERN1,CSNK2A2,NEK3,HIPK1,RIOK2,PAK6,AURKC,MAP3K15,RPS6K
A2,IRAK1,MAP2K3,ULK1,PLK1,EPHA3,NR1H2,HIPK3,MAP3K1,PHKG1,STK25,DAPK2,AAK1,CAMK1G,HIPK2,NUAK2,SIK3,PHKG2,MAP3K3,GRK4,PRKG2,PLK2,STK39,TBK1,MELK,MAP2K2,RPS6KA1,SRPK1,DYRK2,STK17A,RPS6KA5,DAPK1,STK16,RPS
6KA4,MYLK,MAP3K7,SBK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","CK1 protein kinase group","TKL
 protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","Ty
rosine protein kinase Src family","AGC protein kinase GRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase DYRK family","Tyrosine protein kinase FGFR fam
ily","CK1 protein kinase CK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Trk family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fak family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","Tyrosine protein 
kinase Ack family","AGC protein kinase PKA family","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","STE protein kinase MSN subfamily","AGC protein kinase GRK subfamily","CMGC prote
in kinase Dyrk1 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","AGC protein kinase R
OCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKB subfamily","Epigenetic regulator","Unclassified protein","Transcription factor",Eraser,Transferase,"Nuclear receptor","Histone de
acetylase","Nuclear hormone receptor subfamily 1","Atypical protein kinase group","HDAC class IIb","Nuclear hormone receptor subfamily 1 group H","STE protein kinase STE11 family","Other protein kinas
e IKK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase DCAMK1 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein kinase PKC family","Other pro
tein kinase PLK family","Other protein kinase NEK family","STE protein kinase STE7 family","Other protein kinase TTK family","TKL protein kinase RAF family","TKL protein kinase RIPK family","Atypical 
protein kinase RIO family","Other protein kinase NAK family","Other protein kinase NKF1 family","Other protein kinase ULK family","Other protein kinase CK2 family","CMGC protein kinase SRPK family","A
GC protein kinase MAST family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group H member 3","CAMK pro
tein kinase PHk family","AGC protein kinase PKG family","CAMK protein kinase MLCK family","TKL protein kinase MLK family","STE protein kinase MEKK2","AGC protein kinase RSK subfamily","CAMK protein ki
nase MNK subfamily","AGC protein kinase PKC eta subfamily","CMGC protein kinase CDK7 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase YSK subfamily","Atypical protein kinase R
IO1 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MARK subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase FRAY subfamily","CMGC protein kinase JNK subfamily",
"AGC protein kinase GEK subfamily","Other protein kinase Nek1","CMGC protein kinase HIPK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase ASK","CAMK protein kinase NuaK subfamil
y","CAMK protein kinase QIK subfamily","Other protein kinase PLK2","CAMK protein kinase MELK subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase MSK subfamily","TKL protein kinase TAK
1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","TK: Tyrosine kinase","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Cyclin-dependent kinase (CD
K) family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","CAMK1 family","CAMK2 family","Prot
ein kinase D (PKD) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","MSN subfamily","GRK4 subfamily","GSK subfamily","Aurora kinase (Aur) family","Dyrk1 
subfamily","CDK8 subfamily","AMPK subfamily","TAO subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","PAKB subfamily","Abl family","Janus kinase (JakA) family","Type XIV RTKs: RET","Sr
c family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family",
"Ack family","Chromatin modifying enzymes","Nuclear hormone receptors",Atypical,"3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases","1H. Liver X receptor-like receptors","STE11 family","D
CAMKL family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Protein kinase C (PKC) family","Vaccina related kinase (VRK) family","STE7 family","RIO family","1-phosphatidylinositol 4-k
inase family","CASK family","SRPK family","MAST family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","Protein kinase G (PKG) family","Myosin Light Chain Kinase
 (MLCK) family","Opsin/rhodopsin kinases","RSK subfamily","MKN subfamily","Eta subfamily","Polo-like kinase (PLK) family","STE20 subfamily","Receptor serine/threonine kinase (RSTK) family","CDK7 subfa
mily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TTK family","RAF family","YSK subfamily","Receptor interacting protein kinase (RIPK) family","RIO1 subfamily","Numb-associated kina
se (NAK) family","KHS subfamily","NKF1 family","Unc-51-like kinase (ULK) family","Casein kinase 2 (CK2) family","MARK subfamily","RIO3 subfamily","FRAY subfamily","JNK subfamily","GEK subfamily","IRE 
family","HIPK subfamily","RIO2 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","NAK family","NuaK subfamily","QIK subfamily","MELK subfamily","Dyrk2 subfamily","MSK subfamily","Mix
ed Lineage Kinase (MLK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XIII RTKs: Ephrin re
ceptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Cell Cycle","Developmental Biology","Cellular responses to external stimuli","Signal Transduction","Gene expression (Transcription)","Programmed Cell Death","Neuronal System"
,Metabolism,"Innate Immune System","Infectious disease",Mitotic,"Nervous system development","Cellular responses to stress","Signaling by GPCR","Cytokine Signaling in Immune system","Diseases of signa
l transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Tran
smission across Chemical Synapses","Metabolism of lipids","Toll-like Receptor Cascades","Leishmania infection","Mitotic G1 phase and G1/S transition","Axon guidance","Cellular Senescence","HIV Infecti
on","GPCR downstream signalling","SARS-CoV Infections","M Phase","Signaling by Interleukins","Signaling by FGFR in disease","Signaling by WNT in cancer","Signaling by NOTCH1 in Cancer","Signaling by N
TRKs","Generic Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by PTK6","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal t
ransmission","Sphingolipid metabolism","Toll Like Receptor 4 (TLR4) Cascade","Parasite infection","G1 Phase","RET signaling","Oxidative Stress Induced Senescence","Host Interactions of HIV factors","G
 alpha (q) signalling events","SARS-CoV-1 Infection","Mitotic Metaphase and Anaphase","Interleukin-2 family signaling","Signaling by FGFR1 in disease","Signaling by AMER1 mutants","Signaling by NOTCH1
 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","G0 and Early G1","Caspase activation via Dependence Receptors in the absence of ligand","Semaphorin
 interactions","PTK6 promotes HIF1A stabilization","Signaling by ROBO receptors","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK3 (TRKC)","Sphingolipid de n
ovo biosynthesis","MyD88-independent TLR4 cascade","Leishmania phagocytosis","Cyclin D associated events in G1","The role of Nef in HIV-1 replication and disease pathogenesis","SARS-CoV-1 Genome Repli
cation and Transcription","Mitotic Anaphase","Interleukin-15 signaling","FGFR1 mutant receptor activation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 
HD+PEST Domain Mutants","Activation of TRKA receptors","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Activation of RAC1","Centrosome maturation","Post NMDA receptor activation events
","Activated NTRK3 signals through PI3K","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","Regulation of TP53 Activity through 
Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosom
es","Ras activation upon Ca2+ influx through NMDA receptor","Metabolism of RNA","Vesicle-mediated transport","Muscle contraction","Metabolism of proteins",Autophagy,"Signaling by TGFB family members",
"rRNA processing","Signaling by Hedgehog","Membrane Trafficking","Cardiac conduction","Unfolded Protein Response (UPR)",Macroautophagy,"Post-translational protein modification","Metabolism of carbohyd
rates","MAPK family signaling cascades","Signaling by Rho GTPases","Signaling by KIT in disease","Interferon Signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by BMP","Apoptotic e
xecution phase","rRNA processing in the nucleus and cytosol","Phospholipid metabolism","Hedgehog 'on' state","trans-Golgi Network Vesicle Budding","Ion homeostasis","IRE1alpha activates chaperones","S
elective autophagy",SUMOylation,"Glycogen metabolism","Clathrin-mediated endocytosis","MAPK1/MAPK3 signaling","RHO GTPase Effectors","G alpha (i) signalling events","Drug resistance of KIT mutants","A
ntiviral mechanism by IFN-stimulated genes","Role of phospholipids in phagocytosis","Interferon alpha/beta signaling","HIV Life Cycle","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Cascade","Apoptot
ic cleavage of cellular proteins","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional regulation by RUNX2","PI Metabolism","Golgi Associated Vesicle Biogenesis","EPH-Ephri
n signaling",Mitophagy,"SUMO E3 ligases SUMOylate target proteins","Toll Like Receptor 2 (TLR2) Cascade","Glycogen breakdown (glycogenolysis)","Cargo recognition for clathrin-mediated endocytosis","In
terleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survival","L1CAM interactions","RHO GTPases activate PAKs","Visual phototransduction","Dasatinib-resistant KIT mu
tants","ISG15 antiviral mechanism","Regulation of IFNA signaling","Late Phase of HIV Life Cycle","Nuclear Envelope Breakdown","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","RUNX2 r
egulates bone development","Synthesis of PIPs at the Golgi membrane","Assembly and cell surface presentation of NMDA receptors","EPHB-mediated forward signaling","Receptor Mediated Mitophagy","EPHA-me
diated growth cone collapse","SUMOylation of intracellular receptors","Toll Like Receptor TLR6:TLR2 Cascade","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Leishmania
 parasite infection","Recycling pathway of L1","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","Transcription of the HIV genome","Activation of NIMA Kinases NEK9",NEK6,NEK7,"MAP kin
ase activation","Prolonged ERK activation events","RUNX2 regulates osteoblast differentiation","Activation of RAC1 downstream of NMDARs","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CD163 
mediating an anti-inflammatory response","IKK complex recruitment mediated by RIP1",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Initiation of Nuclear Enve
lope (NE) Reformation","HIV Transcription Elongation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Frs2-mediated activation","MAPK
 targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Tat-mediated elongation of the HIV-1 tra
nscript","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{"RUXOLITINIB (INCB018424",S-Ruxolitinib,SRuxolitinib,941685-37-6,941685376,"S-Ruxolitinib (INCB018424)","SRuxolitinib (INCB018424)","Ruxolitinib (S enantiomer)",(R)-ruxolitinib,(R)ruxolitinib,"Ruxoli
tinib S enantiomer","INCB 18424",ruxolitinib-(S),ruxolitinib(S),PubChem19323,SCHEMBL99225,CHEMBL1287854,DTXSID30678918,BCP15524,EX-A40,EXA40,S2902}

> <pdid>
PD003235

> <targets>
{JAK1,JAK2,JAK}

> <classes>
{}

> <pubchem_cids>
{50878566}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -3.8990   -0.7508    0.0000 N   0  0
   -5.1988   -1.5013    0.0000 C   0  0
   -6.4994   -0.7540    0.0000 C   0  0
   -7.7969   -1.5066    0.0000 C   0  0
   -7.7938   -3.0066    0.0000 C   0  0
   -6.4933   -3.7540    0.0000 C   0  0
   -5.1958   -3.0013    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13102

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
Belinostat

> <ctcr_id>
7095

> <supplier_cmpd_id>
T1852

> <smiles>
ONC(=O)/C=C/c1cccc(c1)[S](=O)(=O)Nc2ccccc2

> <pd_targets>
{HDAC6,HDAC8,HDAC9,HDAC1,HDAC4,HDAC3,HDAC11,HDAC2,HDAC7,BRD4,HDAC5,HDAC10}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class IIb","HDAC class I","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Devel
opmental Biology","Infectious disease","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","SARS-CoV Infections","Transcriptional regula
tion by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation by TP53","Potential therapeutics 
for SARS","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RU
NX2 regulates osteoblast differentiation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NC
oR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{SW219445-1,SW2194451,EC-000.2286,EC000.2286,Belinostat,414864-00-9,414864009,PXD101,"Belinostat (PXD101)",866323-14-0,866323140,PXD-101,Beleodaq,(E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamid
e,(E)Nhydroxy3(3(Nphenylsulfamoyl)phenyl)acrylamide,NSC726630,N-HYDROXY-3-(3-PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,NHYDROXY3(3PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,"PXD 101",UNII-F4H96P17NZ,UNIIF4H96P17NZ,N-HYD
,NHYD,T1852,758774,S1085,belinostat}

> <pdid>
PD003512

> <targets>
{HDAC,Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{6918638}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8891   -6.7578    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 N   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -6.4667   -5.2605    0.0000 N   0  0
   -7.7607   -6.0192    0.0000 C   0  0
   -7.7507   -7.5192    0.0000 C   0  0
   -6.4467   -8.2605    0.0000 O   0  0
   -5.1527   -7.5019    0.0000 C   0  0
   -5.1627   -6.0019    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  2  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 17 31  2  0
 31 13  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13103

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
Momelotinib

> <ctcr_id>
6247

> <supplier_cmpd_id>
T1849

> <smiles>
O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2

> <pd_targets>
{JAK2,JAK3,ACVR1,JAK1,BMPR1B,TGFBR1,BMPR1A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase JakA family","TKL protein kinase STKR family","TKL protein kinase STKR1","TKL protein kina
se STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Non-receptor tyrosine kinases (nRTKs)","Receptor serine/threonine kinase (RSTK) family","Janus ki
nase (JakA) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Disease,Mitotic,"Cytokine Signaling in Immune system","Signaling by TGFB family members","Diseases of signal transduction by growth factor receptors
 and second messengers","Mitotic G1 phase and G1/S transition","Signaling by Interleukins","Interferon Signaling","Signaling by BMP","Signaling by TGF-beta Receptor Complex in Cancer","G1 Phase","Inte
rleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","Loss of Function of SMAD2/3 in Cancer","Cyclin D associated events in G1","Interleukin-15 signaling","ISG15 antiviral mechani
sm","SMAD2/3 Phosphorylation Motif Mutants in Cancer"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Cyt387,1056634-68-4,1056634684,MOMELOTINIB,Cyt-387,"CYT 387",N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide,N(Cyanomethyl)4(2((4morpholinophenyl)amino)pyrimidin4yl)benzamide
,"CYT 11387",UNII-6O01GMS00P,UNII6O01GMS00P,N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide,N(cyanomethyl)4(2(4morpholinophenylamino)pyrimidin4yl)benzamide,"Momelotinib free bas
",T1849,S2219,SY-CYT387,Momelotinib,momelotinib,CYT387}

> <pdid>
PD003635

> <targets>
{JAK2,JAK1,JAK,Apoptosis,Autophagy}

> <classes>
{JAK/STAT,Apoptosis,Autophagy,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{25062766}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -5.2096    5.9863    0.0000 N   0  0
   -5.2172    7.4863    0.0000 C   0  0
   -6.5200    8.2297    0.0000 C   0  0
   -7.8153    7.4732    0.0000 O   0  0
   -7.8077    5.9732    0.0000 C   0  0
   -6.5049    5.2298    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26  8  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13104

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
Reversine

> <ctcr_id>
11426

> <supplier_cmpd_id>
T1825

> <smiles>
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2c1[nH]cn2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AURKB,INCENP,MAP2K1}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{Reversine,656820-32-5,656820325,2-(4-Morpholinoanilino)-6-cyclohexylaminopurine,2(4Morpholinoanilino)6cyclohexylaminopurine,UNII-Z499CLJ023,UNIIZ499CLJ023,CHEMBL188343,"N6-cyclohexyl-N2-(4-morpholino
phenyl)-7H-purine-2,6-diamine","N6cyclohexylN2(4morpholinophenyl)7Hpurine2,6diamine",CHEBI:70723,Z499CLJ023,MFCD07784513,N~6~-Cyclohexyl-N~2~-(4-Morpholin-4-Ylphenyl)-9,N~6~CyclohexylN~2~(4Morpholin4Y
lphenyl)9,T1825}

> <pdid>

> <targets>
{A3,"Aurora A","Aurora B","Aurora C"}

> <classes>
{"Cell Cycle/Checkpoint","GPCR/G Protein",Chromatin/Epigenetic}

> <pubchem_cids>
{210332}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 17 25  1  0
 25  8  1  0
 25 26  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13105

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
IOX 2

> <ctcr_id>
1287

> <supplier_cmpd_id>
T1823

> <smiles>
OC(=O)CNC(=O)C1=C(O)c2ccccc2N(Cc3ccccc3)C1=O

> <pd_targets>
{EGLN1,KDM2A,KDM5C,A085R}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Chromatin organization","Cellular responses to stress","Chromatin modifying enzymes","Cellular response to hypoxia","HDMs demethylate histones","Oxygen-depen
dent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{EGLN1,KDM2A,KDM5C}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{IOX2,931398-72-0,931398720,"IOX 2",IOX2(Glycine),"2-(1-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid","2(1benzyl4hydroxy2oxo1,2dihydroquinoline3carboxamido)acetic acid",CHEMBL
3186774,"2-((1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino)acetic acid","2((1benzyl4hydroxy2oxoquinoline3carbonyl)amino)acetic acid","IOX2 sodium salt",IOX-2,cc-642,cc642,MLS006011057,GTPL82,T182
3,S2919}

> <pdid>
PD000008

> <targets>
{HIF}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{54685215}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
   -2.6041   -2.9862    0.0000 C   0  0
   -1.3074   -3.7403    0.0000 C   0  0
   -0.0048   -2.9949    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.1996    1.4928    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
  5 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13106

> <plate>
PLATE 002

> <well>
D6

> <supplier_cmpd_name>
Nexturastat A

> <ctcr_id>
1016

> <supplier_cmpd_id>
T1819

> <smiles>
CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2

> <pd_targets>
{HDAC6,HDAC10,HDAC4,HDAC2,HDAC5,HDAC1,HDAC9,HDAC7,HDAC8,HDAC11,HDAC3}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIb","HDAC class IIa","HDAC class I","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental
 Biology",Mitotic,"Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","M Phase","Transcriptional regulation by RUNX2","Signaling by NOTCH1 HD+PEST
 Domain Mutants in Cancer","Transcriptional Regulation by TP53","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","RUNX2 regulates bone development","Constitutive Signaling by NOTCH
1 HD+PEST Domain Mutants","Regulation of TP53 Activity","Loss of function of MECP2 in Rett syndrome","Mitotic Anaphase","RUNX2 regulates osteoblast differentiation","RUNX2 regulates chondrocyte matura
tion","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to 5mC-DNA","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC6}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{"Nexturastat A",1403783-31-2,1403783312,4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide,4((1butyl3phenylureido)methyl)Nhydroxybenzamide,s7473,CHEMBL2179618,4-((butyl(phenylcarbamoyl)amino)methy
l)-N-hydroxybenzamide,4((butyl(phenylcarbamoyl)amino)methyl)Nhydroxybenzamide,nexturastat-a,nexturastata,"Benzamide, 4-((butyl((phenylamino)carbonyl)amino)methyl)-N-hydroxy-","Benzamide, 4((butyl((phe
nylamino)carbonyl)amino)methyl)Nhydroxy",Nex,T1819,S7473}

> <pdid>
PD010301

> <targets>
{"Nexturastat A",HDAC}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{71462653}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    7.7858   -7.5171    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 C   0  0
  -11.6978    5.2390    0.0000 C   0  0
  -12.9970    4.4896    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 14 31  1  0
 31 32  2  0
 32 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13107

> <plate>
PLATE 002

> <well>
D7

> <supplier_cmpd_name>
Tenovin-6

> <ctcr_id>
7941

> <supplier_cmpd_id>
T1818

> <smiles>
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1

> <pd_targets>
{SIRT2,SIRT1,SIRT3}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Mito
tic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1,SIRT2,SIRT3}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{ENOVIN,Tenovin-6,Tenovin6,1011557-82-6,1011557826,"Tenovin 6",CHEMBL595354,CHEBI:77729,MFCD11976906,C25H34N4O2S,"Tnv 6",SCHEMBL907478,"US8501991, Tenovin 6",BDBM99917,AOB3690,DTXSID50647242,EX-A350,E
XA350,HMS3648C14,HMS3652F12,BCP08547,2064AH,ZINC43196009,AKOS026750220,CCG-20869,CCG20869,T1818,S4900}

> <pdid>
PD010667

> <targets>
{Autophagy,Dihydroorotate Dehydrogenase,MDM-2/p53,Sirtuin}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease}

> <pubchem_cids>
{24772043}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0  1  0  0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0  2  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  1  0  0  0
   -6.4447    1.8344    0.0000 C   0  0
   -7.3266    3.0478    0.0000 O   0  0
   -3.9492    0.8772    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16  9  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13108

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
Decitabine

> <ctcr_id>
7375

> <supplier_cmpd_id>
T1508

> <smiles>
NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2

> <pd_targets>
{DNMT1,DNMT3A,DNMT3B}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,Reader,"DNA methyltransferase","Methyl-lysine/arginine binding protein","PWWP domain"}

> <pathway_chembl>
{Enzymes,"2.1.1.- Methyltransferases"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of DNA methylation proteins"}

> <broad_targets>
{DNMT1,DNMT3A}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{Decitabine,5-Aza-2'-deoxycytidine,5Aza2'deoxycytidine,2353-33-5,2353335,Dacogen,5-Azadeoxycytidine,5Azadeoxycytidine,2'-Deoxy-5-azacytidine,2'Deoxy5azacytidine,AzadC,5-aza-CdR,5azaCdR,5-aza-dC,5azadC
,Dezocitidine,"NSC 127716",Dac,5-aza-2-deoxycytidine,5aza2deoxycytidine,UNII-776B62CQ27,UNII776B62CQ27,5A2dc,NSC-127716,NSC127716,4-Amino-1-(2-deoxy-beta-D-erythro-pentofurano,4Amino1(2deoxybetaDeryth
ropentofurano,T1508,S1200,decitabine}

> <pdid>
PD003319

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{}

> <pubchem_cids>
{451668}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
    1.2211    6.8711    0.0000 C   0  0
   -0.2851    7.4666    0.0000 C   0  0
    0.7318    8.5693    0.0000 O   0  0
   -1.7759    7.6329    0.0000 C   0  0
   -2.3947    6.2665    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  1  0
 16  6  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  5  2  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13109

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
2-Methoxyestradiol

> <ctcr_id>
5779

> <supplier_cmpd_id>
T2220

> <smiles>
COc1cc2C3CCC4(C)C(O)CCC4C3CCc2cc1O

> <pd_targets>
{TUBB2B,LMNA,SHBG,KMT2A,MEN1,GMNN,TUBA1A,GAA,MAPT,AMPC,NFO,PMP22,BLM,CYP1B1,CYP1A1,MTOR,LEF,CYP3A4,CYP1A2}

> <pathway_gtopdb>
{"Structural protein","Other nuclear protein","Secreted protein","Epigenetic regulator","Unclassified protein",Enzyme,"Other cytosolic protein",Reader,Hydrolase,"Cytochrome P450",Kinase,Bromodomain,"C
ytochrome P450 family 1","Protein Kinase","Cytochrome P450 family 1B","Cytochrome P450 family 1A","Atypical protein kinase group","Cytochrome P450 1B1","Cytochrome P450 1A1","Atypical protein kinase P
IKK family","Atypical protein kinase FRAP subfamily",Protease,"Metallo protease","Cytochrome P450 family 3","Metallo protease MAE clan","Cytochrome P450 family 3A","Metallo protease M34 family","Cytoc
hrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases","Cytochrome P450","Kinases (EC 2.7.x.x)","CYP1 family",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","CYP3 family"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Neuronal System","Developmental Biology","DNA Repair",Metabolism,"Gene expression (Transcription)",Mitotic,"Diseases of metabolism","Transmission across Chemical Synapses","Nerv
ous system development","DNA Double-Strand Break Repair","Biological oxidations","RNA Polymerase II Transcription","M Phase","Mitotic G1 phase and G1/S transition","Diseases of carbohydrate metabolism
","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Phase I - Functionalization of compound
s","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","G1/S Transition","Glycogen storage diseases","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombi
nation (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","Mitotic Anaphase","Activation of the pre-replicative complex","Glyco
gen storage disease type II (GAA)","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)","Endogenous sterols",Xenobiotics,"Regulation of TP53 Activity","Nuclear Envelope 
(NE) Reassembly","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Sealing of the nuclear envelope (NE) by ESCRT-I
II","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Infectious disease","Metabolism of lipids","Up
take and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins",
"Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{COMT,CYP19A1,CYP1A1,CYP1B1,HIF1A,TUBB}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{2-ME2;NSC-659853,2ME2;NSC659853,2-Methoxy-.beta.-estradiol,2Methoxy.beta.estradiol,NSC659853,2-methoxy-17-estradiol,2methoxy17estradiol,Neuro_000385,Neuro000385,Neuro-000385,"Neuro 000385",CHEMBL2357
6,"2-Methoxyestradiol-(13C,d3)","2Methoxyestradiol(13C,d3)",SCHEMBL13123068,CHEBI:110165,HMS3268G22,1217470-09-1,1217470091,AKOS015967320,FT-0612836,FT0612836,2-Methoxyestra-1(10),2Methoxyestra1(10),2
,4-triene-3,4triene3,17-d,17d,T2220,S1233,2-Methoxyestradiol,"2-Methoxyestradiol (2-MeOE2)"}

> <pdid>
PD008759

> <targets>
{HIF}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{1573}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6005    1.4982    0.0000 C   0  0
   -1.3027    2.2087    0.0000 C   0  0
   -1.3052    3.7087    0.0000 C   0  0
   -2.6055    4.4565    0.0000 O   0  0
   -3.9032    3.7044    0.0000 C   0  0
   -3.9007    2.2044    0.0000 C   0  0
   -3.8991    0.7459    0.0000 C   0  0
   -5.2005    1.4935    0.0000 N   0  0
   -6.4991    0.7411    0.0000 C   0  0
   -6.4964   -0.7589    0.0000 O   0  0
   -7.8005    1.4887    0.0000 C   0  0
   -9.0995    0.7387    0.0000 C   0  0
  -10.3986    1.4885    0.0000 C   0  0
  -10.3988    2.9885    0.0000 C   0  0
  -11.6971    3.7415    0.0000 N   0  0
  -11.6951    5.2423    0.0000 C   0  0
  -10.3948    5.9902    0.0000 O   0  0
  -12.9934    5.9953    0.0000 C   0  0
  -13.1314    7.4761    0.0000 O   0  0
  -14.5987    7.7878    0.0000 C   0  0
  -15.3485    6.4887    0.0000 C   0  0
  -14.3447    5.3741    0.0000 C   0  0
   -9.0998    3.7387    0.0000 C   0  0
   -7.8007    2.9888    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
  9 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
 22 31  1  0
 31 32  2  0
 32 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13110

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
JW55

> <ctcr_id>
8262

> <supplier_cmpd_id>
T1807

> <smiles>
COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4occc4)cc3

> <pd_targets>
{TNKS,TNKS2}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN stability and activity"}

> <broad_targets>
{TNKS,TNKS2}

> <broad_moa>
{"tankyrase inhibitor"}

> <synonyms>
{664993537,jw55,"JW 55",JW-55,JW55,CHEMBL3753077,C25H26N2O5,"JW55 Inhibitor",QCR-64,QCR64,SCHEMBL1896657,CHEBI:95068,AOB1062,DTXSID60387940,EX-A274,EXA274,SYN5186,HMS1591J12,HMS3426G05,BCP08451,ZINC94
58454,3754AH,BDBM50136777,MFCD03863265,s6745,STK774983,AKOS001733937,C,T1807,4514,16260}

> <pdid>
PD003429

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2946601}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -3.9073    5.2494    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -6.5054    5.2404    0.0000 C   0  0
   -6.5002    3.7404    0.0000 C   0  0
   -5.1985    2.9949    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20  8  1  0
 20 21  2  0
 21  3  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13111

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
WHI-P258

> <ctcr_id>
11522

> <supplier_cmpd_id>
T2035

> <smiles>
COc1c(OC)cc2c(Nc3ccccc3)ncnc2c1

> <pd_targets>
{EGFR,RET,LCK,KDR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR
 family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Type XIV RTKs: RET","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Signaling by GPCR","Nervous system development","Infectious disease","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","Axon
 guidance","HIV Infection","Signaling by VEGF","G alpha (q) signalling events","RET signaling","Host Interactions of HIV factors","VEGFA-VEGFR2 Pathway","Gastrin-CREB signalling pathway via PKC and MA
PK","The role of Nef in HIV-1 replication and disease pathogenesis","VEGFR2 mediated cell proliferation","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by re
cruiting them to clathrin adapters","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HIP25,WHI-P258,WHIP258,21561-09-1,21561091,"6,7-dimethoxy-N-phenylquinazolin-4-amine","6,7dimethoxyNphenylquinazolin4amine","4-Phenylamino-6,7-dimethoxyquinazoline","4Phenylamino6,7dimethoxyquinazoli
ne",CHEMBL94191,"4-Quinazolinamine, 6,7-dimethoxy-N-phenyl-","4Quinazolinamine, 6,7dimethoxyNphenyl","6,7-dimethoxy-N-phenyl-4-quinazolinamine","6,7dimethoxyNphenyl4quinazolinamine",Oprea1_506594,Opre
a1506594,Oprea1-506594,"Oprea1 506594","PD153035 Analog 29",BDBM353,T2035}

> <pdid>
PD055887

> <targets>
{EGFR,JAK3}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Tyrosine Kinase/Adaptors","Stem Cells"}

> <pubchem_cids>
{3798}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    1.7140   -7.2404    0.0000 O   0  0
    1.2457   -5.8153    0.0000 C   0  0
    2.2461   -4.6976    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.8994   -8.0768    0.0000 C   0  0
    0.4744   -8.6791    0.0000 O   0  0
   -2.1980   -8.8260    0.0000 C   0  0
   -2.5101  -10.2931    0.0000 C   0  0
   -3.9368  -10.7564    0.0000 C   0  0
   -5.0513   -9.7525    0.0000 C   0  0
   -4.7392   -8.2853    0.0000 C   0  0
   -3.3125   -7.8221    0.0000 C   0  0
   -2.7027   -6.4525    0.0000 C   0  0
   -3.4449   -5.1490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
 14  9  1  0
  4 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 15  1  0
 24 25  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13112

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
RG108

> <ctcr_id>
5780

> <supplier_cmpd_id>
T2038

> <smiles>
OC(=O)C(Cc1c[nH]c2ccccc12)N3C(=O)c4ccccc4C3=O

> <pd_targets>
{SSSIM,PKM,DNMT1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Writer,"DNA methyltransferase"}

> <pathway_chembl>
{Enzymes,"2.7.1.40 Pyruvate kinases","2.1.1.- Methyltransferases"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Metabolism of carbohydrates","Post-translational protein modification","Glucose metabolism",SUMOylation,Glycolysis,"SUMO E3 ligases SUMOylate target proteins","SU
MOylation of DNA methylation proteins"}

> <broad_targets>
{DNMT1,DNMT3B}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{NSC401077,"DNA Methyltransferase Inhibitor",32675-71-1,32675711,"2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid","2(1,3dioxoisoindol2yl)3(1Hindol3yl)propanoic acid",MLS000757170,CHEMBL383
475,"2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid","2(1,3Dioxo1,3dihydroisoindol2yl)3(1Hindol3yl)propionic acid",NSC-401077,2-(1,2(1,3-Dioxo-1,3Dioxo1,3-dih,3dih,13302,S282
1,"NSC 401077",RG-108,RG108}

> <pdid>
PD003628

> <targets>
{"DNA Methyltransferase",Transferase}

> <classes>
{Epigenetics}

> <pubchem_cids>
{344265}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2948    3.7517    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    7.7927    6.0049    0.0000 C   0  0
    9.0914    5.2527    0.0000 N   0  0
   10.3927    6.0005    0.0000 C   0  0
   10.3952    7.5005    0.0000 O   0  0
   11.6914    5.2482    0.0000 C   0  0
   12.9927    5.9960    0.0000 C   0  0
   14.2914    5.2438    0.0000 C   0  0
   15.5930    5.9893    0.0000 C   0  0
   16.8895    5.2348    0.0000 N   0  0
   16.8843    3.7348    0.0000 C   0  0
   15.5827    2.9893    0.0000 C   0  0
   14.2863    3.7437    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 10 23  1  0
 23 24  2  0
 24  7  1  0
  3 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13113

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
Chidamide

> <ctcr_id>
11196

> <supplier_cmpd_id>
T2025

> <smiles>
Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)cc(F)cc1

> <pd_targets>
{KCNH2,HDAC1,HDAC6,HDAC2,HDAC10,HDAC11,HDAC3,HDAC4,HDAC5,HDAC7,HDAC8,HDAC9,NCOR1,NCOR2,NAMPT}

> <pathway_gtopdb>
{"Ion channel","Epigenetic regulator","Voltage-gated ion channel",Eraser,"Potassium channels","Histone deacetylase","Voltage-gated potassium channel","HDAC class I","HDAC class IIb",Enzyme,"HDAC class
 IV"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Chromatin modifying enzymes","Potassium channels","3.5.1.- Histone deacetylases (HDACs)","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction",Disease,"Gene expression (Transcription)","Cardiac conduction","Disorders of Developmental Biology","RNA Polymerase II Transcription","Diseases of signal transduction by growth f
actor receptors and second messengers","Phase 3 - rapid repolarisation","Disorders of Nervous System Development","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Pervasive development
al disorders","Transcriptional regulation by RUNX2","Transcriptional Regulation by TP53","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","RUNX2 regu
lates bone development","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differentiation",
"Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Cell Cycle",Metabolism,Mitotic,"Metabolism of vitamins and cofactors","M Phase","Metabolism 
of water-soluble vitamins and cofactors","Mitotic Metaphase and Anaphase","Nicotinate metabolism","Mitotic Anaphase","Nicotinamide salvaging","Separation of Sister Chromatids"}

> <broad_targets>
{}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Chidamide,743420-02-2,743420022,HDAC-IN-7,HDACIN7,1883690-47-8,1883690478,CHEMBL4087968,UNII-462284YV3M,UNII462284YV3M,462284YV3M,Tucidinostat(Chidamide),"Tucidinostat (Chidamide)",SCHEMBL8057949,AOB
6858,EX-A2209,EXA2209,"Chidamide; CS055; HBI-8000","Chidamide; CS055; HBI8000",1671AH,BDBM50242817,HBI-8000;CS-055,HBI8000;CS055,MFCD1838212,T2025}

> <pdid>
PD021168

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC8}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{9800555}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    9.0685    5.2795    0.0000 C   0  0
    9.0758    3.7795    0.0000 N   0  0
    7.7802    3.0220    0.0000 S   0  0
    6.4773    3.7652    0.0000 O   0  0
    7.7722    4.5219    0.0000 O   0  0
    7.7876    1.5211    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 10 13  1  1
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13114

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
Oclacitinib

> <ctcr_id>
11523

> <supplier_cmpd_id>
T2012

> <smiles>
CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(C)c1ncnc2c1cc[nH]2

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Interleukin-2 family signaling","
Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Interleukin-15 signaling","ISG15 antiviral mechanism","Cyclin D associated events in G1","Regulation of IFNA 
signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{OCLACITINIB,1208319-26-9,1208319269,PF-03394197,PF03394197,JAKI,PF-03394197(Oclacitinib),PF03394197(Oclacitinib),UNII-99GS5XTB51,UNII99GS5XTB51,99GS5XTB51,CHEMBL2103874,Apoquel,"Oclacitinib (USAN:INN
)","Oclacitinib (USAN)","Apoquel (veterinary use)",SCHEMBL261673,SCHEMBL261679,Oclacitinib,PF,T2012}

> <pdid>
PD017398

> <targets>
{JAKs}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{44631938}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 N   0  0
   -1.8609   -9.7860    0.0000 N   0  0
   -0.9777  -10.9963    0.0000 C   0  0
    0.5147  -10.8373    0.0000 C   0  0
    1.3993  -12.0496    0.0000 C   0  0
    2.8917  -11.8906    0.0000 C   0  0
    3.7777  -13.1010    0.0000 C   0  0
    5.2689  -12.9391    0.0000 C   0  0
    5.8743  -11.5666    0.0000 C   0  0
    4.9884  -10.3562    0.0000 C   0  0
    3.4972  -10.5181    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 17 27  1  0
 27 14  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13115

> <plate>
PLATE 002

> <well>
E5

> <supplier_cmpd_name>
RGFP 966

> <ctcr_id>
7889

> <supplier_cmpd_id>
T1762

> <smiles>
Nc1cc(F)ccc1NC(=O)\C=C\c2cnn(C\C=C\c3ccccc3)c2

> <pd_targets>
{HDAC3,HDAC2,NCOR2,HDAC1}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Disorders of Nervous System Development","Generic Transcription Pathway","Pervasive d
evelopmental disorders","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Loss of MECP2 binding ability to the NCoR/SMRT complex","Regula
tion of TP53 Activity through Acetylation","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
{HDAC3}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{RGFP966,1357389-11-7,1357389117,"RGFP 966",RGFP-966,(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide,(E)N(2amino4fluorophenyl)3(1cinnamyl1Hpyrazol4yl)acrylamide,1396841-57-8,13
96841578,CHEMBL4078477,C21H19FN4O,"RGFP966 Racemate",GTPL7500,SCHEMBL12497867,SCHEMBL12497871,EX-A229,EXA229,CHEBI:131163,AMY10860,BCP081,S7229}

> <pdid>
PD010387

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{56650312}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 N   0  0
   -9.0976    3.7431    0.0000 O   0  0
   -6.4996    5.2432    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7508    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4994   -0.7539    0.0000 N   0  0
    7.7969   -1.5066    0.0000 C   0  0
    7.7939   -3.0066    0.0000 C   0  0
    6.4933   -3.7539    0.0000 C   0  0
    5.1958   -3.0013    0.0000 C   0  0
  1  2  2  0
  1  3  2  0
  1  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 13 17  1  0
 12 18  1  0
  7 19  1  0
 19 20  2  0
 20  4  1  0
  1 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13116

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
MS436

> <ctcr_id>
11436

> <supplier_cmpd_id>
T1854

> <smiles>
S(=O)(=O)(c1ccc(/N=N/c2cc(c(cc2N)O)C)cc1)Nc1ncccc1

> <pd_targets>
{BRD4,KAT2B,BRD7,BRD3,BAZ2B,SMARCA4,CREBBP,BPTF}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","GNAT family","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","2.3.1.48 Histone acetyltransferases (HATs)","Non-enzymatic
 BRD containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","SARS-CoV Infection
s","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional Regulation by TP53","Transc
riptional regulation by RUNX1","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity","RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not kno
wn","TP53 Regulates Transcription of Cell Death Genes","Regulation of TP53 Activity through Acetylation","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MS436,1395084-25-9,1395084259,MS-436,"MS 436",CHEMBL3086883,C18H17N5O3S,GTPL7509,SCHEMBL15496578,SCHEMBL18263639,SCHEMBL18263641,SCHEMBL18398866,AOB6111,EX-A691,EXA691,BCP09947,BDBM50443232,FD5026,s7
305,ZINC97758762,AKOS024458527,AKOS026750236,AKOS032947339,ZINC20182,T1854}

> <pdid>
PD012659

> <targets>
{"BRD4 (1)","BRD4 (2)"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{135566899}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 S   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -6.4636   -5.2605    0.0000 N   0  0
   -5.1590   -6.0025    0.0000 C   0  0
   -3.8651   -5.2437    0.0000 O   0  0
   -5.1483   -7.5033    0.0000 C   0  0
   -4.3923   -8.7072    0.0000 C   0  0
   -5.8923   -8.7147    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 24 31  1  0
 31 32  2  0
 32 21  1  0
 19 33  2  0
 33  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13117

> <plate>
PLATE 002

> <well>
E7

> <supplier_cmpd_name>
Tozasertib

> <ctcr_id>
5907

> <supplier_cmpd_id>
T2509

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2

> <pd_targets>
{MAPKAPK2,NTRK1,MAP4K4,MAP4K1,STK4,AAK1,LYN,SRC,KDR,KIT,PDGFRA,CAMK1,NUAK1,MAP4K3,CHEK1,BRSK1,TYRO3,ROS1,RPS6KA2,CDKL5,TBK1,RIOK2,TAOK1,DDR1,MERTK,MET,TIE1,ABL1,FGFR1,LCK,PRKAA1,CSK,PRPF4B,CDKL2,MAP2K
5,AURKC,FLT3,AURKAIP1,INSR,PRKAA2,CDK16,JAK2,RET,MYLK,IKBKE,STK11,MARK3,AURKA,AURKB,PLK4,ALK,AURKB-A,PAK4,PAK2,MST1R,EIF2AK4,INSRR,NTRK3,EPHA2,EPHA1,TYK2,LIMK1,TESK1,PHKG1,PIP5K1A,MAP3K10,MYLK2,JAK3,N
EK5,PKN1,WEE2,SBK3,MELK,SYK,TNK1,SIK1,BCR,YES1,MAP2K2,CSNK2A1,MAP3K9,RIOK1,MAP3K11,CAMK1D,PAK3,PAK1,LIMK2,EPHA3,STK10,STK26,IGF1R,EPHB1,EPHB4,MYLK4,BTK,TEC,TGFBR1,PKNB,MAPK10,TNIK,PTK2B,DCLK3,MYLK3,CS
NK2A2,FGFR3,MAP3K4,STK24,MAP2K1,SIK2,MAP3K13,FER,PKN2,ABL2,STK3,GAK,ACVR1,BLK,FYN,FLT1,RIOK3,DDR2,ACVRL1,LATS1,LATS2,PRKCQ,PRKD2,FGFR4,FGR,MAP3K12,RIPK1,MINK1,MAP3K3,EPHB6,SRPK3,RIPK4,CDK11A,CSF1R,FRK
,MAP3K19,EPHA4,FGFR2,ITK,CDKL3,ERBB3,SLK,TEK,TAOK3,BMPR2,RPS6KB1,PDGFRB,NTRK2,FES,MAPK14,SRPK1,PAK5,MAP2K6,BMX,MAP4K5,RPS6KA3,MARK2,MARK1,DAPK3,TXK,IRAK3,RPS6KA1,JAK1,PHKG2,STK16,CDK11B,STK25,MARK4,WE
E1,TLK1,MUSK,AXL,CDK19,MAP3K7,LRRK2,NUAK2,BMP2K,PIP4K2B,TAOK2,BMPR1B,ANKK1,ERN1,CDK17,CAMKK1,ULK3,SRPK2,HUNK,EPHA6,EGFR,FLT4,EPHA8,GRK4,LTK,TNK2,NEK7,MAP3K20,MKNK2,MAP3K2,TTK,PAK6,HCK,MAPK7,DLK1,CYP19
A1,MAP4K2,IRAK4,EPHB2,STK17A,P2RY14,PRKCZ,STK38L,PDPK1,CAMK1G}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,Transferase,"Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 19","Small molecule receptor (fam
ily A GPCR)","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","Atypical protein kina
se group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Trk family","STE protein kina
se STE20 family","Other protein kinase NAK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family"
,"Tyrosine protein kinase Axl family","Tyrosine protein kinase Sev family","AGC protein kinase RSK family","CMGC protein kinase CDKL family","Other protein kinase IKK family","Atypical protein kinase 
RIO family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","T
yrosine protein kinase Csk family","STE protein kinase STE7 family","Other protein kinase AUR family","Tyrosine protein kinase InsR family","CMGC protein kinase CDK family","Tyrosine protein kinase Ja
kA family","Tyrosine protein kinase Ret family","CAMK protein kinase MLCK family","Other protein kinase PLK family","TKL protein kinase STKR family","Other protein kinase PEK family","Tyrosine protein
 kinase Eph family","TKL protein kinase LISK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","Other protein kinase NEK family","AGC protein kinase PKN family","Other protein k
inase WEE family","Other protein kinase NKF1 family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Ack family","Atypical protein kinase BCR family","Other protein kinase CK2 family","T
yrosine protein kinase Tec family","CMGC protein kinase MAPK family","Tyrosine protein kinase Fak family","CAMK protein kinase DCAMK1 family","STE protein kinase STE11 family","Tyrosine protein kinase
 Fer family","AGC protein kinase NDR family","AGC protein kinase PKC family","CAMK protein kinase PKD family","TKL protein kinase RIPK family","CMGC protein kinase SRPK family","Tyrosine protein kinas
e EGFR family","CAMK protein kinase DAPK family","TKL protein kinase IRAK family","Other protein kinase TLK family","Tyrosine protein kinase Musk family","TKL protein kinase LRRK family","Other protei
n kinase CAMKK family","Other protein kinase ULK family","AGC protein kinase GRK family","Tyrosine protein kinase Alk family","Other protein kinase TTK family","Cytochrome P450 19A1","Purine receptor"
,"AGC protein kinase PDK1 subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","STE protein kinase MST subfamily","CAMK protein kina
se NuaK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase TAO subfami
ly","CAMK protein kinase AMPK subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR Type 1 subfamily","STE 
protein kinase PAKB subfamily","STE protein kinase PAKA subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase LIMK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase MLK
 subfamily","Other protein kinase WEE1","CAMK protein kinase MELK subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase SLK subfamily","STE protei
n kinase YSK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","Atypical protein kinase RIO3 subfamily","AGC p
rotein kinase PKC delta subfamily","STE protein kinase MEKK2","CMGC protein kinase PITSLRE subfamily","TKL protein kinase STKR Type 2 subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase
 p38 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase PCTAIRE","Other protein kinase Meta subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase MNK subfamily","CMGC protein kinase ERK5","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","G protein-coupled receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"Lipid modifying kinases",CYP11,CYP17,CYP19,"CYP2
0 and CYP21 families","P2Y receptors","MAPK-Activated Protein Kinase (MAPKAPK) family","TK: Tyrosine kinase","STE20 family","Other protein kinases","CAMK1 family","CAMK-like (CAMKL) family","RSK famil
y","Cyclin-dependent kinase-like (CDKL) family","RIO family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE7 family","Cyclin-dependent kinase (CDK) family","Myosin
 Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","Phosphorylase kinase (PHK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase N (PKN) fam
ily","Mitogen-activated protein kinases (MAP kinases)","DCAMKL family","STE11 family","NDR family","Protein kinase C (PKC) family","Protein kinase D (PKD) family","SRPK family","Death-associated kinas
e (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","G protein-coupled receptor kinases (GRKs)","PDK1 family","MAPKAPK subfamily","Receptor tyrosine kinases (RT
Ks)","MSN subfamily","KHS subfamily","MST subfamily","NAK family","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","CHK1 subfamily","BRSK subfamily","RSK subfamily","IKK family","RIO2 subfamil
y","TAO subfamily","AMPK subfamily","PRP4 subfamily","Aurora kinase (Aur) family","TAIRE subfamily","LKB subfamily","MARK subfamily","Polo-like kinase (PLK) family","PAKB subfamily","PAKA subfamily","
PEK family","LIM domain kinase (LISK) family","Mixed Lineage Kinase (MLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","WEE family","NKF1 family","MELK subfamily","QIK subfami
ly","Casein kinase 2 (CK2) family","RIO1 subfamily","SLK subfamily","YSK subfamily","Receptor serine/threonine kinase (RSTK) family","JNK subfamily","Numb-associated kinase (NAK) family","RIO3 subfami
ly","Delta subfamily","Receptor interacting protein kinase (RIPK) family","PITSLRE subfamily","STE20 subfamily","p70 subfamily","p38 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family"
,"Tousled-like kinase (TLK) family","CDK8 subfamily","Leucine-rich repeat kinase (LRRK) family","IRE family","CAMKK family","Unc-51-like kinase (ULK) family","HUNK subfamily","GRK4 subfamily","MKN sub
family","TTK family","ERK subfamily","Iota subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III
 RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XVII RTKs: ROS receptors","Type XVI RTKs: DDR (collagen receptor) family","Type X RTK
s: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Csk family","Type I
I RTKs: Insulin receptor family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","GCN2 subfamily","Type XIII RTKs: Ephrin receptor fa
mily","LIMK subfamily","TESK subfamily","MLK subfamily","Syk family","Ack family","Tec family","Type I receptor serine/threonine kinases","Fak family","LZK subfamily","Fer family","Type I RTKs: ErbB (
epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","Type IX RTKs: MuSK","TAK1 subfamily","Meta subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Cellular responses to external stimuli","Vesicle-mediated transport",Disease,"Neuronal System","Gene expression (Transcription)","DNA Repair","Metabolism of RNA
","Cell Cycle","Extracellular matrix organization",Hemostasis,"Developmental Biology","Metabolism of proteins","Cell-Cell communication",Metabolism,"Circadian Clock","Programmed Cell Death","Organelle
 biogenesis and maintenance","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cellular responses to stress","Signaling by Hippo","Membrane Trafficking","Infectious disease","Diseases o
f signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","rRNA processing",Mit
otic,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Nervous system development",Translation,"Intracellular signaling by second messengers","Signaling by Rho
 GTPases","Cytokine Signaling in Immune system","Cell junction organization","Metabolism of carbohydrates","Metabolism of lipids",Apoptosis,"Signaling by TGFB family members","Signaling by GPCR","Adap
tive Immune System","MAPK family signaling cascades","MTOR signalling","Cilium Assembly","Cell Cycle Checkpoints","ECM proteoglycans","Signaling by Non-Receptor Tyrosine Kinases","Unfolded Protein Res
ponse (UPR)","Signaling by Hedgehog","Signaling by NOTCH","Biological oxidations","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","Signaling by NTRKs","Cellular Senescence","Clathrin-me
diated endocytosis","Leishmania infection","Signaling by VEGF","Signaling by KIT in disease","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Generic 
Transcription Pathway","Homology Directed Repair","rRNA processing in the nucleus and cytosol","M Phase","Axon guidance","Signaling by FGFR in disease","HIV Infection","Oncogenic MAPK signaling","Sign
aling by Insulin receptor","Mitochondrial translation","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S transition","RHO GTPase Effectors","Mitotic G2-G2/M phases","Signaling by MST1","Respon
se of EIF2AK4 (GCN2) to amino acid deficiency","Interferon Signaling","Cell-extracellular matrix interactions","Glycogen metabolism","Phospholipid metabolism","Signaling by Interleukins","Neutrophil d
egranulation","Apoptotic execution phase","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by SCF-KIT","trans-Golgi Net
work Vesicle Budding","Signaling by BMP","GPCR downstream signalling","Sphingolipid metabolism","Signaling by FGFR","TCR signaling","MAPK1/MAPK3 signaling","mTORC1-mediated signalling","Caspase activa
tion via extrinsic apoptotic signalling pathway","Fc epsilon receptor (FCERI) signaling","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Regulation of lipid metabolism by PPAR
alpha","Signaling by PTK6","IRE1alpha activates chaperones","Hedgehog 'on' state","Signaling by NOTCH1","Phase I - Functionalization of compounds","GPCR ligand binding","ESR-mediated signaling","Toll 
Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Oxidative Stress Induced Senescence","Cargo recognition for clathrin-mediated endocytosis","Leishmania parasite growth and survival","VEGFA
-VEGFR2 Pathway","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 4 (TLR4) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Mitotic Metaphase and Anaphase","Semaphori
n interactions","Parasite infection","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Signaling by RAS mutants","Insulin receptor signalling cascade","Mitochondrial translation elon
gation","Negative regulation of the PI3K/AKT network","G1 Phase","RET signaling","RHO GTPases activate PAKs","G2/M Transition","Signaling by ROBO receptors","Signaling by NTRK3 (TRKC)","EPH-Ephrin sig
naling","Interferon alpha/beta signaling","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Glycogen breakdown (glycogenolysis)","PI Metabolism","Interleukin-2 fami
ly signaling","RHO GTPases activate PKNs","Apoptotic cleavage of cellular proteins","IGF1R signaling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer"
,"Signaling by FGFR3 in disease","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","VEGF ligand-receptor interactions","G alpha (i) signalling events","Sphingolipid de novo b
iosynthesis","Signaling by FGFR4","Interleukin-1 family signaling","Transcriptional Regulation by VENTX","PTEN Regulation","Signaling by FGFR2 in disease","Generation of second messenger molecules","R
AF/MAP kinase cascade","Caspase activation via Dependence Receptors in the absence of ligand","FCERI mediated Ca+2 mobilization","Toll Like Receptor 2 (TLR2) Cascade","Antiviral mechanism by IFN-stimu
lated genes","G2/M DNA damage checkpoint","PPARA activates gene expression","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","Mitotic Prophase","Activated NOTCH1 Transmits Signal to
 the Nucleus","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Extra-nuclear estrogen signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs"
,"Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","Post NMDA receptor acti
vation events","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","MyD88-independent TLR4 cascade","Mitotic Anaphase","Sema4D in semaphorin signaling","Leishmania phagocytosis"
,"FGFR1 mutant receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Signaling downstream of RAS mutants","Signalling to ERK5","IRS-mediated signalling",PI5P,"PP2A and 
IER3 Regulate PI3K/AKT Signaling","Cyclin D associated events in G1","Centrosome maturation","Activation of RAC1","Activated NTRK3 signals through PI3K","EPHA-mediated growth cone collapse","Regulatio
n of IFNA signaling","Synthesis of PIPs at the plasma membrane","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Ephrin sig
naling","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-2 signaling","Signaling by FGFR3 point mutants in cance
r","Role of ABL in ROBO-SLIT signaling","RUNX1 regulates transcription of genes involved in BCR signaling","VEGF binds to VEGFR leading to receptor dimerization","Visual phototransduction","Downstream
 signaling of activated FGFR4","Interleukin-1 signaling","Regulation of PTEN stability and activity","FGFR2 mutant receptor activation","Activation of TRKA receptors","CRMPs in Sema3A signaling","Toll
 Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Gastrin-CREB signalling pathway via PKC and MAPK","Nuclear Envelope Brea
kdown","Endogenous sterols","Nucleotide-like (purinergic) receptors","Estrogen-stimulated signaling through PRKCZ","MAP kinase activation","Prolonged ERK activation events","FCGR3A-mediated IL10 synth
esis","Signalling to RAS","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signa
ling","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Nef-mediates down 
modulation of cell surface receptors by recruiting them to clathrin adapters","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Nef and signal tra
nsduction","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","The phototransduction cascade","FRS-mediated FGFR4 signaling","Recruitment of mitotic centrosome
 proteins and complexes","Activated point mutants of FGFR2","NGF-independant TRKA activation","Regulation of TP53 Activity through Acetylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane",
"EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"P2Y receptors","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","AR
MS-mediated activation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Lo
ss of Nlp from mitotic centrosomes","Frs2-mediated activation","Signaling by activated point mutants of FGFR3",Inactivation,"recovery and regulation of the phototransduction cascade","IKK complex recr
uitment mediated by RIP1","PI5P Regulates TP53 Acetylation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Regulation of TP53 Degradation","CREB phosphorylation","Activation of the AP
-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X68,Tozasertib,639089-54-6,639089546,VX-680,VX680,MK-0457,MK0457,"MK 0457","VX 680","VX-680 (MK-0457,Tozasertib)","VX680 (MK0457,Tozasertib)",UNII-234335M86K,UNII234335M86K,VX-68,VX68,"Tozasertib (VX
-680)","Tozasertib (VX680)",MK-045,MK045,L-001281814,L001281814,CHEMBL572878,936915-58-1,936915581,VX6,234335M86K,"Tozasertib (USAN)","Tozasertib (USAN:INN)","VE 465",T2509,S1048,TOZASERTIB}

> <pdid>
PD003407

> <targets>
{Aurora,ABL,"AURORA KINASES",FLT3,"Aurora Kinase",Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5494449}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -7.7973   -2.9963    0.0000 C   0  0
   -7.7950   -1.4963    0.0000 C   0  0
   -6.4947   -0.7484    0.0000 C   0  0
   -9.0928   -0.7443    0.0000 C   0  0
   -9.0998   -3.7420    0.0000 O   0  0
  -10.3973   -2.9877    0.0000 C   0  0
  -11.6998   -3.7334    0.0000 C   0  0
  -12.9966   -2.9795    0.0000 O   0  0
   -6.5019   -5.2484    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    2.5951   -3.0031    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  4  1  0
 10 11  2  0
  8 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 16 18  1  0
 15 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 14 23  1  0
  3 24  1  0
 24 25  1  0
  1 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13118

> <plate>
PLATE 002

> <well>
E8

> <supplier_cmpd_name>
Apabetalone

> <ctcr_id>
12462

> <supplier_cmpd_id>
T2480

> <smiles>
c1(cc(c2c(c1)[nH]c(nc2=O)c1cc(c(c(c1)C)OCCO)C)OC)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{BRD3}

> <broad_moa>
{"apolipoprotein expression enhancer"}

> <synonyms>
{Apabetalone,1044870-39-4,1044870394,RVX-208,RVX208,RVX-000222,RVX000222,"RVX 208",UNII-8R4A7GDZ1D,UNII8R4A7GDZ1D,"RVX 000222",8R4A7GDZ1D,QC-216,QC216,"Apabetalone (INN)","Apabetalone (USAN:INN)",1K0,
4j1p,4j3i,4mr4,4mr6,"Apabetalone (USAN/INN)",SCHEMBL145019,GTPL7034,SCHEMBL1,T2480}

> <pdid>

> <targets>
{BD2,Epigenetic Reader Domain,HIV}

> <classes>
{Chromatin/Epigenetic,Anti-infection,Epigenetics}

> <pubchem_cids>
{135564749}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    5.5107   -8.7634    0.0000 C   0  0
    4.6332   -7.5468    0.0000 N   0  0
    5.1017   -6.1218    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.6747   -6.1134    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.2459   -8.7488    0.0000 C   0  0
    0.7541   -8.5846    0.0000 C   0  0
   -0.1348   -9.7939    0.0000 C   0  0
    0.4681  -11.1674    0.0000 O   0  0
   -1.6267   -9.6297    0.0000 N   0  0
   -2.5151  -10.8383    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
  4 16  1  0
 16 17  2  0
 17  2  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13119

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
MC1568

> <ctcr_id>
7138

> <supplier_cmpd_id>
T2023

> <smiles>
Cn1cc(\C=C\C(=O)c2cccc(F)c2)cc1\C=C\C(=O)NO

> <pd_targets>
{HDA106,HD1B}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{852475-26-4,852475264,HDAC-IN-1,HDACIN1,"MC 1568",1239610-44-6,1239610446,CHEMBL191089,cc-402,cc402,MLS006011094,SCHEMBL14974121,SCHEMBL14974122,CHEBI:95072,GTPL11121,DTXSID40464187,BCPP000170,ABP000
149,BDBM50166164,MFCD16875423,s1484,ZINC13643576,AKOS024457966,BCP9000898,CCG-267627,CCG267627,T2023,S1484,MC1568}

> <pdid>
PD011171

> <targets>
{HDAC}

> <classes>
{}

> <pubchem_cids>
{11381449}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    6.4921   -0.7549    0.0000 O   0  0
    5.1933   -1.5053    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.1996    1.4928    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13120

> <plate>
PLATE 002

> <well>
E10

> <supplier_cmpd_name>
HPOB

> <ctcr_id>
11579

> <supplier_cmpd_id>
T2430

> <smiles>
OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1

> <pd_targets>
{HDAC10,HDAC1,HDAC2,HDAC8,HDAC6,HDAC3,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIb","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental Biology","RNA Polymerase II Trans
cription",Mitotic,"Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive 
developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX2","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of 
function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Mitotic Anaphase","RUNX2 regulates bone development","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through 
Acetylation","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HPOB,1429651-50-2,1429651502,N-hydroxy-4-(2-(N-(2-hydroxyethyl)anilino)-2-oxoethyl)benzamide,Nhydroxy4(2(N(2hydroxyethyl)anilino)2oxoethyl)benzamide,4-((Hydroxyamino)carbonyl)-N-(2-hydroxyethyl)-N-ph
enylbenzeneacetamide,4((Hydroxyamino)carbonyl)N(2hydroxyethyl)Nphenylbenzeneacetamide,N-hydroxy-4-(2-((2-hydroxyethyl)(phenyl)amino)-2-oxoethyl)benzamide,Nhydroxy4(2((2hydroxyethyl)(phenyl)amino)2oxoe
thyl)benzamide,CHEMBL4066043,SCHEMBL14851795,T2430}

> <pdid>
PD017910

> <targets>
{HDAC1,HDAC10,HDAC3,HDAC6,HDAC8}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{71532921}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 20 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13121

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
Rocilinostat

> <ctcr_id>
121

> <supplier_cmpd_id>
T2489

> <smiles>
ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3

> <pd_targets>
{HDAC1,HDAC2,HDAC6,HDAC8,HDAC7,HDAC10,HDAC4,HDAC3,HDAC5,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb","HDAC class IIa"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor receptors and s
econd messengers","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Pervasive developmental disorders","Transcriptional Regulation by
 TP53","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Ac
tivity","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through 
Acetylation","RUNX2 regulates osteoblast differentiation","Separation of Sister Chromatids","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC6,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{1316214-52-4,1316214524,ACY-1215,ACY1215,Ricolinostat,Rocilinostat,2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide,2(Diphenylamino)N(7(hydroxyamino)7oxoheptyl)pyrimidine5ca
rboxamide,"Rocilinostat (ACY-1215)","Rocilinostat (ACY1215)",UNII-WKT909C62B,UNIIWKT909C62B,ACY-63,ACY63,WKT909C62B,MFCD22666356,2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-5-,2(Diphenylamino)N
(7(hydroxyamino)7oxoheptyl)5,T2489,S8001}

> <pdid>
PD010271

> <targets>
{HDAC,Apoptosis}

> <classes>
{Epigenetics,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{53340666}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8794    1.4442    0.0000 C   0  0
   -4.8818    2.5601    0.0000 O   0  0
   -4.3452    0.0183    0.0000 C   0  0
    0.6928    4.0817    0.0000 C   0  0
    0.1182    5.4692    0.0000 C   0  0
    1.0352    6.6562    0.0000 C   0  0
    2.5218    6.4556    0.0000 C   0  0
    3.0913    5.0679    0.0000 C   0  0
    2.1743    3.8809    0.0000 C   0  0
    2.7425    2.4917    0.0000 S   0  0
    4.2286    2.2884    0.0000 O   0  0
    1.8237    1.3061    0.0000 O   0  0
    3.3097    1.1031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
 11 12  1  0
 12 13  2  0
 13  5  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13122

> <plate>
PLATE 002

> <well>
F2

> <supplier_cmpd_name>
GSK2801

> <ctcr_id>
12478

> <supplier_cmpd_id>
T2436

> <smiles>
CCCOc1cc2c(cc(n2cc1)C(=O)C)c1ccccc1S(=O)(=O)C

> <pd_targets>
{TRIM24,BAZ2B,BRD9,TAF1L,TRIM33,BAZ2A}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","TIF1 family","Brom
odomain kinase (BRDK) family","TAF1 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","RNA Polymerase II Transcription","Epigenetic regulat
ion of gene expression","Signaling by FGFR in disease","HIV Infection","Generic Transcription Pathway","Negative epigenetic regulation of rRNA expression","Signaling by FGFR1 in disease","HIV Life Cyc
le","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","NoRC negatively regulates rRNA expression","FGFR1 mutant receptor activation","Late Phase of HIV Life Cycle","Downregulation of SMAD2/
3:SMAD4 transcriptional activity","Signaling by cytosolic FGFR1 fusion mutants","Transcription of the HIV genome","HIV Transcription Initiation"}

> <broad_targets>
{BAZ2A,BAZ2B}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{GSK2801,1619994-68-1,1619994681,GSK-2801,CHEMBL3739699,"GSK 2801",1-(1-(2-(methylsulfonyl)phenyl)-7-propoxyindolizin-3-yl)ethanone,1(1(2(methylsulfonyl)phenyl)7propoxyindolizin3yl)ethanone,"Ethanone,
 1-(1-(2-(methylsulfonyl)phenyl)-7-propoxy-3-indolizinyl)-","Ethanone, 1(1(2(methylsulfonyl)phenyl)7propoxy3indolizinyl)",1-(1-(2-(Methylsulfonyl)phenyl)-7-Propoxyindolizin-3-Yl)e,1(1(2(Methylsulfonyl
)phenyl)7Propoxyindolizin3Yl)e,T2436}

> <pdid>
PD000036

> <targets>
{BAZ2A,BAZ2B}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{73010930}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.5205    6.1100    0.0000 S   0  0
    2.0570    7.5366    0.0000 C   0  0
    0.5570    7.5366    0.0000 C   0  0
   -0.3247    8.7502    0.0000 Br  0  0
    0.0934    6.1100    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12  7  2  0
  4 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13123

> <plate>
PLATE 002

> <well>
F3

> <supplier_cmpd_name>
Lomeguatrib

> <ctcr_id>
5127

> <supplier_cmpd_id>
T2495

> <smiles>
Nc1nc(OCc2scc(Br)c2)c3[nH]cnc3n1

> <pd_targets>
{MGMT}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","DNA Damage Reversal","MGMT-mediated DNA damage reversal"}

> <broad_targets>
{MGMT}

> <broad_moa>
{"O6-alkylguanine-DNA alkyltransferase inhibitor"}

> <synonyms>
{ATRIN,Lomeguatrib,192441-08-0,192441080,PaTrin-2,PaTrin2,"PaTrin 2",Lomeguaritrib,6-((4-bromothiophen-2-yl)methoxy)-7H-purin-2-amine,6((4bromothiophen2yl)methoxy)7Hpurin2amine,UNII-S79265T71M,UNIIS79
265T71M,CHEMBL339133,2-Amino-6-((4-bromo-2-thienyl)methoxy)-9H-purine,2Amino6((4bromo2thienyl)methoxy)9Hpurine,"1H-Purin-2-amine, 6-((4-bromo-2-thienyl)methoxy)-","1HPurin2amine, 6((4bromo2thienyl)met
hoxy)",6-((4-b,6((4b,T2495,4359,S8056}

> <pdid>
PD003478

> <targets>
{DNA Methyltransferase}

> <classes>
{Epigenetics}

> <pubchem_cids>
{3025944}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0990    0.7364    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 O   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2993    0.7296    0.0000 C   0  0
  -15.5984    1.4796    0.0000 C   0  0
  -15.5984    2.9796    0.0000 C   0  0
  -14.2994    3.7296    0.0000 C   0  0
  -13.0004    2.9796    0.0000 C   0  0
   -6.4995   -0.7599    0.0000 C   0  0
   -7.7983   -1.5103    0.0000 Cl  0  0
   -6.4992   -2.2599    0.0000 Cl  0  0
   -5.2004   -1.5099    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 10 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
  5 26  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13124

> <plate>
PLATE 002

> <well>
F4

> <supplier_cmpd_name>
Sal003

> <ctcr_id>
7886

> <supplier_cmpd_id>
T2417

> <smiles>
Clc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1

> <pd_targets>
{RORC,NPSR1,CYP2C9,LMNA,CYP2C19,KMT2A,MEN1,SKA,CYP1A2,MAPT,FTL,CYP3A4,CYP2D6}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Other nuclear protein","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Nuclear receptor","Family A G protein-coupled recept
or","Cytochrome P450",Reader,Kinase,Protease,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 1","Cysteine prote
ase","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cysteine protease CA cl
an","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P45
0 1A1","Cysteine protease C1A family","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","1F. Retinoic acid-related orphans","Neuropeptide S receptor","CYP2 family: drug metabolising subset","CY
P1 family","CYP3 family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"Cell Cycle","Neuronal System","Vesicle-mediated transport","RNA Polymerase II Transcription","Infectious disease","Biological oxidations",Mitotic
,"Transmission across Chemical Synapses","Membrane Trafficking","Metabolism of lipids","Generic Transcription Pathway","Leishmania infection","Phase I - Functionalization of compounds","M Phase","Neur
otransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Transcriptional regulation by RUNX3","Le
ishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle 
Biogenesis","Biosynthesis of DHA-derived SPMs","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase",
"Post NMDA receptor activation events","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can b
e N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{EIF2A}

> <broad_moa>
{"eukaryotic translation initiation factor inhibitor"}

> <synonyms>
{SCHEMBL16345219,HMS3653J03,HMS3674I09,AKOS026750474,MCULE-9150747950,MCULE9150747950,AK547038,DA-47669,DA47669,FT-0771509,FT0771509,SW219776-1,SW2197761,T2417,S7437,Sal003}

> <pdid>
PD010315

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2829966}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 20  0  0  1  0            999 V2000
    1.7999   -5.7187    0.0000 C   0  0
    2.5525   -4.4212    0.0000 C   0  0  2  0  0  0
    3.3694   -5.6356    0.0000 C   0  0
    4.7965   -5.1735    0.0000 C   0  0
    4.7981   -3.6735    0.0000 C   0  0
    3.3720   -3.2085    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 N   0  0
   -3.8983   -0.7459    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 13 17  2  0
 17  9  1  0
 17 18  1  0
 18  7  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13125

> <plate>
PLATE 002

> <well>
F5

> <supplier_cmpd_name>
Veliparib

> <ctcr_id>
3738

> <supplier_cmpd_id>
T2591

> <smiles>
C[C@@]1(CCCN1)c2[nH]c3cccc(C(N)=O)c3n2

> <pd_targets>
{PARP12,PARP3,PARP10,TNKS2,PARP1,PARP2,TNKS,PARP14,PARP4}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"Signal Transduction","DNA Repair","Infectious disease","Intracellular signaling by second messengers","Base Excision Repair","SARS-CoV Infections","PIP3 activates AKT signaling","Influenza I
nfection","Resolution of Abasic Sites (AP sites)","SARS-CoV-1 Infection","PTEN Regulation","Influenza Viral RNA Transcription and Replication","Resolution of AP sites via the multiple-nucleotide patch
 replacement pathway","Translation of structural proteins","Regulation of PTEN stability and activity","vRNA Synthesis","POLB-Dependent Long Patch Base Excision Repair","Maturation of nucleoprotein"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BT88,Veliparib,912444-00-9,912444009,ABT-888,ABT888,"ABT 888","ABT-888 (Veliparib)","ABT888 (Veliparib)",(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide,(R)2(2methylpyrrolidin2yl)1
Hbenzo(d)imidazole4carboxamide,"Veliparib free base",UNII-01O4K0631N,UNII01O4K0631N,2-((2R)-2-Methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide,2((2R)2Methylpyrrolidin2yl)1Hbenzimidazole4carboxami
de,2-((2R)-2,2((2R)2,T2591,S1004,veliparib}

> <pdid>
PD003637

> <targets>
{PARP,Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{11960529}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

  8  4  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  5
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8993    0.7496    0.0000 O   0  0
    2.6000   -1.5000    0.0000 O   0  5
   11.4000   -0.3754    0.0000 Pt  0  2
    8.9000   -0.3754    0.0000 N   0  0
    6.4000   -0.3754    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  CHG  3   1  -1   5  -1   6   2
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13126

> <plate>
PLATE 002

> <well>
F6

> <supplier_cmpd_name>
Nedaplatin

> <ctcr_id>
11199

> <supplier_cmpd_id>
T2410

> <smiles>
[O-]CC(=O)[O-].[Pt+2].N.N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Nedaplatin,95734-82-0,95734820,UNII-8UQ3W6JXAN,UNII8UQ3W6JXAN,"(GLYCOLATO-O,O')DIAMMINE PLATINUM(II)","(GLYCOLATOO,O')DIAMMINE PLATINUM(II)",8UQ3W6JXAN,(SP-4-3)-Diammine(2-(hydroxy-|EO)acetato(2-)-|E
O)platinum,(SP43)Diammine(2(hydroxy|EO)acetato(2)|EO)platinum,azane;2-oxidoacetate;platinum(2+),azane;2oxidoacetate;platinum(2+),MFCD00866374,AK546896,AS-14828,AS14828,AB0073095,33951-EP2272827A1,3395
1EP2272827A1,3395,T2410}

> <pdid>

> <targets>
{"DNA synthesis"}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{9796440}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 N   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2111   -5.9837    0.0000 C   0  0
   -6.5072   -5.2269    0.0000 C   0  0
   -7.8115   -5.9679    0.0000 C   0  0
   -9.1053   -5.2089    0.0000 C   0  0
   -9.0949   -3.7089    0.0000 C   0  0
   -7.7907   -2.9679    0.0000 C   0  0
   -7.7772   -1.4672    0.0000 N   0  0
   -6.4713   -0.7276    0.0000 C   0  0
   -6.3180    0.7517    0.0000 S   0  0
   -4.8476    1.0483    0.0000 C   0  0
   -4.1112   -0.2584    0.0000 C   0  0
   -5.1264   -1.3627    0.0000 N   0  0
   -6.4969   -3.7269    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 24  2  0
 22 29  2  0
 29 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13127

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
MK8745

> <ctcr_id>
5130

> <supplier_cmpd_id>
T2471

> <smiles>
Fc1c(Cl)cccc1C(=O)N2CCN(CC2)Cc3cccc(Nc4sccn4)n3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AURKA}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{K874,MK-8745,MK8745,885325-71-3,885325713,C20H19ClFN5OS,SCHEMBL1704218,CHEMBL4303177,HMS3652J20,AOB87140,EX-A1113,EXA1113,2550AH,MFCD28009367,s7065,ZINC38226036,AKOS026750501,CCG-269026,CCG269026,CS-
5664,CS5664,NCGC00386315-02,NCGC0038631502,DA-40867,DA40867,HY-13819,HY13819,A8807,FT-0700500,FT0700500,SW219458-1,SW2194581,T2471,S7065}

> <pdid>
PD010636

> <targets>
{Apoptosis,Aurora Kinase}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{11676373}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
    8.9915   -3.7089    0.0000 Cl  0  0
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5937   -6.0074    0.0000 C   0  0
    1.2413   -5.3885    0.0000 C   0  0
    0.2394   -6.5048    0.0000 N   0  0
   -1.2255   -6.8179    0.0000 C   0  0
   -2.3421   -5.8189    0.0000 C   0  0
   -3.7683   -6.2863    0.0000 N   0  0
   -4.8877   -5.2877    0.0000 C   0  0
   -6.3121   -5.7577    0.0000 C   0  0
   -6.6173   -7.2264    0.0000 N   0  0
   -5.4980   -8.2250    0.0000 C   0  0
   -4.0736   -7.7550    0.0000 C   0  0
   -1.3800   -8.3099    0.0000 C   0  0
   -0.0087   -8.9179    0.0000 S   0  0
    0.9914   -7.8027    0.0000 C   0  0
    2.4581   -7.4885    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 14 22  2  0
 22 23  1  0
 23 24  1  0
 24 13  1  0
 24 25  2  0
 25 11  1  0
  3 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 29  1  0
 34 35  2  0
 35 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13128

> <plate>
PLATE 002

> <well>
F8

> <supplier_cmpd_name>
SRT1720

> <ctcr_id>
350

> <supplier_cmpd_id>
T2412

> <smiles>
Cl.O=C(Nc1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccccc6n5

> <pd_targets>
{SIRT2,SIRT1,SIRT3,SLC6A2,ADRA2A,CHRM2,CHRM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Transporter,"Membrane receptor",Eraser,"Electrochemical transporter","Family A G protein-coupled receptor","Histone deacetylase","SLC superfamily of solute carriers","Small mol
ecule receptor (family A GPCR)","HDAC class III","SLC06 neurotransmitter transporter family","Monoamine receptor","Adrenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","SLC superfamily of solute carriers","G protein-coupled receptors","3.5.1.- Histone deacetylases (HDACs)","SLC6 neurotransmitter transport
er family",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,"Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Disorders of transmembrane transporters","Signaling by GPCR","M Phase","Generic
 Transcription Pathway","SLC transporter disorders","GPCR ligand binding","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A
/1 (Rhodopsin-like receptors)","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Amine l
igand-binding receptors","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT activator"}

> <synonyms>
{1001645-58-4,1001645584,SRT1720,"SRT1720 HCl","SRT 1720 Hydrochloride","SRT 1720 (Hydrochloride)","SRT1720 xHydrochloride","SRT1720 Hydrochloride","SRT-1720 xhydrochloride","SRT1720 xhydrochloride",c
c-265,cc265,MLS006011149,"SRT 1720 HCl",QCR-61,QCR61,SCHEMBL16372055,DTXSID80649411,BCP01774,SRT,T5124,T2412,S1129,"SRT 1720 dihydrochloride(925434-55-5(free base))"}

> <pdid>
PD050847

> <targets>
{Sirtuin}

> <classes>
{Epigenetics}

> <pubchem_cids>
{25232708}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
   -0.0001  -12.0006    0.0000 C   0  0
    1.2989  -12.7506    0.0000 N   0  0
    1.2989  -14.2506    0.0000 C   0  0
   -0.0001  -15.0006    0.0000 C   0  0
   -1.2992  -14.2507    0.0000 C   0  0
   -1.2992  -12.7507    0.0000 N   0  0
   -2.5988  -15.0010    0.0000 C   0  0
   -2.6013  -16.5011    0.0000 C   0  0
   -3.9015  -17.2490    0.0000 C   0  0
   -5.1994  -16.4970    0.0000 C   0  0
   -5.1970  -14.9970    0.0000 N   0  0
   -3.8968  -14.2490    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 14 29  1  0
 29 30  2  0
 30 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13129

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
Mocetinostat

> <ctcr_id>
5444

> <supplier_cmpd_id>
T2512

> <smiles>
Nc1ccccc1NC(=O)c2ccc(CNc3nccc(n3)c4cccnc4)cc2

> <pd_targets>
{HDAC1,HDAC2,HDAC3,HDAC8,NCOR2,HDAC11,HDAC6,CYP3A4,NCOR1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,"Cytochrome P450","Histone deacetylase","Cytochrome P450 family 3","HDAC class I","HDAC class IV","HDAC class IIb","Cytochrome P450 family 3A","Cytochrome P450 3A
4"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","3.5.1.- Histone deacetylases (HDACs)","CYP3 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle",Metabolism,"Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor rece
ptors and second messengers","Metabolism of lipids","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized pro
resolving mediators (SPMs)","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcript
ional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Do
main Mutants","RUNX2 regulates bone development","Biosynthesis of maresins","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability 
to the NCoR/SMRT complex","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HDAC1,HDAC11,HDAC2,HDAC3}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Mocetinostat,726169-73-9,726169739,MGCD0103,MGCD-0103,"MGCD 0103","Mocetinostat (MGCD0103)",N-(2-aminophenyl)-4-(((4-pyridin-3-ylpyrimidin-2-yl)amino)methyl)benzamide,N(2aminophenyl)4(((4pyridin3ylpy
rimidin2yl)amino)methyl)benzamide,UNII-A6GWB8T96J,UNIIA6GWB8T96J,"MG 0103","Mocetinostat (MGCD0103, MG0103)",A6GWB8T96J,"Mocetinostat (MGC",T2512,S1122}

> <pdid>
PD011124

> <targets>
{HDAC Inhibitors,Apoptosis,Autophagy,HDAC}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{9865515}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    3.9055    5.2465    0.0000 O   0  0
    2.6109    7.4988    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    0.0102   -7.4994    0.0000 C   0  0
    1.3118   -8.2449    0.0000 C   0  0
    2.6082   -7.4904    0.0000 C   0  0
    2.6030   -5.9904    0.0000 C   0  0
    1.3014   -5.2449    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  4 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 17 25  1  0
 25 26  2  0
 26  2  1  0
 26 14  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13130

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
Roxadustat

> <ctcr_id>
4137

> <supplier_cmpd_id>
T2515

> <smiles>
Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12

> <pd_targets>
{EGLN1,FTO,A085R,EGLN2,EGLN3,P4HTM}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","DNA Repair","Cellular responses to stress","DNA Damage Reversal","Cellular response to hypoxia","Reversal of alkylation damage by DNA dioxygenases","Oxygen-d
ependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{EGLN1,EGLN2,EGLN3}

> <broad_moa>
{"hypoxia inducible factor prolyl hydroxylase inhibitor"}

> <synonyms>
{G459,Roxadustat,FG-4592,FG4592,808118-40-3,808118403,"Roxadustat (FG-4592)","Roxadustat (FG4592)",N-((4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl)glycine,N((4Hydroxy1methyl7phenoxy3isoquino
linyl)carbonyl)glycine,ASP1517,UNII-X3O30D9YMX,UNIIX3O30D9YMX,"Glycine, N-((4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl)-","Glycine, N((4hydroxy1methyl7phenoxy3isoquinolinyl)carbonyl)",2-((4
-hydroxy-1-methyl-7,2((4hydroxy1methyl7,T2515,S1007}

> <pdid>
PD011194

> <targets>
{HIF,Ferroptosis,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11256664}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5944   -6.0070    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13131

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
BG45

> <ctcr_id>
11581

> <supplier_cmpd_id>
T2294

> <smiles>
N(C(=O)c1nccnc1)c1ccccc1N

> <pd_targets>
{HDAC3,HDAC1,HDAC2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Disorders of Nervous System Development","Generic Transcription Pathway","Pervasive d
evelopmental disorders","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss o
f MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BG45,926259-99-6,926259996,N-(2-aminophenyl)pyrazine-2-carboxamide,N(2aminophenyl)pyrazine2carboxamide,BG-45,N-(2-Aminophenyl)-2-pyrazinecarboxamide,N(2Aminophenyl)2pyrazinecarboxamide,UNII-12P6IK4ZU
X,UNII12P6IK4ZUX,12P6IK4ZUX,CHEMBL4283263,"BG45, HDAC3 Inhibitor",SCHEMBL18064956,AOB4907,SYN5062,CHEBI:125522,BCP15990,BDBM50470567,MFCD09046162,s7,T2294}

> <pdid>
PD012417

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC6}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{16773791}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 S   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -5.1988   -0.0070    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0978    0.7360    0.0000 C   0  0
  -10.3984    1.4833    0.0000 C   0  0
  -10.4015    2.9833    0.0000 C   0  0
   -9.1040    3.7360    0.0000 C   0  0
   -7.8034    2.9887    0.0000 C   0  0
  -11.7020    3.7306    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13132

> <plate>
PLATE 002

> <well>
G2

> <supplier_cmpd_name>
C7280948

> <ctcr_id>
12469

> <supplier_cmpd_id>
T2097

> <smiles>
c1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)N

> <pd_targets>
{PRMT1}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","TP53 Regulates Transcription of Cell Cycle Genes","TP53 Regul
ates Transcription of Genes Involved in G2 Cell Cycle Arrest"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{587850-67-7,587850677,4-amino-N-(2-phenylethyl)benzenesulfonamide,4aminoN(2phenylethyl)benzenesulfonamide,4-amino-N-phenethylbenzenesulfonamide,4aminoNphenethylbenzenesulfonamide,C7280948,C-7280948,C
HEMBL1269351,"C 7280948",((4-aminophenyl)sulfonyl)(2-phenylethyl)amine,((4aminophenyl)sulfonyl)(2phenylethyl)amine,"Cambridge id 7280948",Benzenesulfonamide,4-amino-N-(2-phen,4aminoN(2phen,T2097}

> <pdid>
PD012515

> <targets>
{PRMT1,Histone Methyltransferase}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{833539}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7554    0.0000 C   0  0
   -3.8938   -2.2554    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -10.3903   -1.5182    0.0000 C   0  0
   -9.0939   -0.7637    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13133

> <plate>
PLATE 002

> <well>
G3

> <supplier_cmpd_name>
AG-490

> <ctcr_id>
7554

> <supplier_cmpd_id>
T2600

> <smiles>
Oc1ccc(cc1O)\C=C(C#N)\C(=O)NCc2ccccc2

> <pd_targets>
{HIF1A,FFP,TP53,EGFR,KDM4E,SMN1,LMNA,MAPT,CYP2C19,ALOX15,CYP1A2,ALOX12,CHRM1,CYP3A4,GMNN,ERBB2,GRIN1,GRIN2B,GRIN2C,HSD17B10,FTL,KMT2A,MEN1,RECQL,BLM,JAK1,NFKB1,JAK3,PMP22,MAPK1,THPO,ALDH1A1,PKM,HPGD,L
EF,GRIN2A,MTOR,MAP4K2,PLK3,MKNK2,EEF2K,PRKD2,HIPK4,MINK1,MARK2,MAPKAPK2,PIM1,GSK3B,SLK,MAP4K5,PLK4,PRKAA1,TAOK1,IRAK1,AURKB,MAP3K20,AXL,GSK3A,PLK1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Membrane receptor","Unclassified protein","Ion channel",Transferase,Kinase,Eraser,Reader,"Cytoc
hrome P450",Oxidoreductase,"Family A G protein-coupled receptor","Ligand-gated ion channel",Protease,"Protein Kinase","Lysine demethylase","Methyl-lysine/arginine binding protein","Cytochrome P450 fam
ily 2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Ionotropic glutamate receptor",Bromodomain,"Metallo protease","TK protein kinase group","Jumonji
 domain-containing","Tudor domain","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 3A","NMDA receptor","CMGC protein kinase group","Metallo proteas
e MAE clan","Atypical protein kinase group","Tyrosine protein kinase EGFR family","Cytochrome P450 2C19","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 3A4","Tyrosine protein kinase J
akA family","CMGC protein kinase MAPK family","Metallo protease M34 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","STE protein kinas
e group","Other protein kinase group","CAMK protein kinase group","TKL protein kinase group","STE protein kinase STE20 family","Other protein kinase PLK family","CAMK protein kinase MAPKAPK family","A
typical protein kinase alpha family","CAMK protein kinase PKD family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 family","CAMK protein kinase PIM family","CMGC protein kinase GSK fam
ily","TKL protein kinase IRAK family","Other protein kinase AUR family","TKL protein kinase MLK family","Tyrosine protein kinase Axl family","STE protein kinase KHS subfamily","CAMK protein kinase MNK
 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase SLK subfamily","CAM
K protein kinase AMPK subfamily","STE protein kinase TAO subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)","2.7.1.40 Pyruvate kinases","Recepto
r kinases","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset",Lipoxygenases,"CYP1 family","Acetylcholine receptors (muscarinic)","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"C
LK families","Prostaglandin synthases",Atypical,"TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosi
ne kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","FRAP subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family","STE: Homologs of
 yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE20 family","Other protein kinases","MAPK-Activated Protein Kinase (MAPKAPK) family","Alpha 
kinase family","Protein kinase D (PKD) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","PIM family","Glycogen synthase kinase (GSK) fa
mily","TKL: Tyrosine kinase-like","KHS subfamily","Polo-like kinase (PLK) family","MKN subfamily","eEF2K subfamily","HIPK subfamily","MSN subfamily","MARK subfamily","MAPKAPK subfamily","GSK subfamily
","SLK subfamily","AMPK subfamily","TAO subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Aurora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","MLK subfamily","Type XI RT
Ks: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cell Cycle","Signal Transduction","Metabolism of RNA","Neuronal System",Metabolism,"Developmental Biology","Vesicle-mediated transport","DNA Repair","Immune 
System",Hemostasis,Disease,"Gene expression (Transcription)","Cellular responses to stress","Cell Cycle Checkpoints","Signaling by GPCR","Metabolism of non-coding RNA",Mitotic,"Transmission across Che
mical Synapses","Biological oxidations","Metabolism of lipids","Nervous system development","Metabolism of amino acids and derivatives","Membrane Trafficking","DNA Double-Strand Break Repair","Cytokin
e Signaling in Immune system","Innate Immune System","Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Infectious disease","RNA Polymerase II Transcription","Cellular re
sponse to hypoxia","G1/S DNA Damage Checkpoints","GPCR downstream signalling","snRNP Assembly","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization 
of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G1 phase and G1/S transition","Axon guidance","Branched-chain amino acid catabolism","trans-Gol
gi Network Vesicle Budding","Homology Directed Repair","Interferon Signaling","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades"
,"Platelet Aggregation (Plug Formation)","Glucose metabolism","Uptake and actions of bacterial toxins","Generic Transcription Pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Fact
or Alpha","p53-Dependent G1/S DNA damage checkpoint","G alpha (q) signalling events","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged
 by substrate type","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","G1/S Transition","Semaphorin interactions","Golgi Associated Vesicle B
iogenesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Antiviral mechanism by IFN-stimulated genes","Interleukin-1 family signaling","Interleukin-2 family signaling"
,"Toll Like Receptor 5 (TLR5) Cascade","Ethanol oxidation",Glycolysis,"Uptake and function of anthrax toxins","Transcriptional Regulation by TP53","p53-Dependent G1 DNA Damage Response","Gastrin-CREB 
signalling pathway via PKC and MAPK","Mitotic Anaphase","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Biosynthesis of maresins","Ac
tivation of the pre-replicative complex","Sema4D in semaphorin signaling","HDR through Homologous Recombination (HRR)","ISG15 antiviral mechanism","Interleukin-1 signaling","Interleukin-15 signaling",
"MyD88 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","Regulation of TP53 Activity","Stabilization of p53","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassemb
ly","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthe
sis of DPAn-3-derived maresins","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairing and Strand Exc
hange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","MAP kinase activation","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Env
elope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ER
Ks are inactivated","MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","mTORC1-mediated signalling","Sphingol
ipid metabolism","Cellular Senescence","FLT3 signaling in disease","SARS-CoV Infections","Mitotic G2-G2/M phases","Signaling by VEGF","Sphingolipid de novo biosynthesis","Oxidative Stress Induced Sene
scence","Signaling by FLT3 ITD and TKD mutants","SARS-CoV-1 Infection","G2/M Transition","VEGFA-VEGFR2 Pathway","STAT5 activation downstream of FLT3 ITD mutants","SARS-CoV-1 Genome Replication and Tra
nscription","Centrosome maturation","Regulation of TP53 Activity through Phosphorylation","Replication of the SARS-CoV-1 genome","Loss of proteins required for interphase microtubule organization from
 the centrosome","Separation of Sister Chromatids","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK activation","CREB phosphorylation"}

> <broad_targets>
{EGFR,JAK2,JAK3}

> <broad_moa>
{"EGFR inhibitor","JAK inhibitor"}

> <synonyms>
{"G490 (TYRPHOSTIN B42",133550-30-8,133550308,AG-490,AG490,"Tyrphostin B42","AG 490","Tyrphostin AG 490","(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide","(E)Nbenzyl2cyano3(3,4dihydroxyphenyl)
acrylamide","Tyrphostin AG490","tyrphostin AG-490","tyrphostin AG490","AG-490 (Tyrphostin B42)","AG490 (Tyrphostin B42)",alpha-Cyano-(3,alphaCyano(3,4-dihydroxy)-N-benzy,4dihydroxy)Nbenzy,T2600,"EMD 6
58401",EI-272,414,S1143,658401}

> <pdid>
PD002602

> <targets>
{EGFR,JAK}

> <classes>
{}

> <pubchem_cids>
{5328779}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6531   -3.1237    0.0000 S   0  0
   -3.6607   -4.2349    0.0000 C   0  0
   -5.1519   -4.0729    0.0000 O   0  0
   -2.9152   -5.5365    0.0000 N   0  0
   -1.4469   -5.2297    0.0000 C   0  0
   -0.3297   -6.2307    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0  2  0  0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8919   -5.2525    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
  2 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  1 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 25 27  1  1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13134

> <plate>
PLATE 002

> <well>
G4

> <supplier_cmpd_name>
AZD1208

> <ctcr_id>
11440

> <supplier_cmpd_id>
T2300

> <smiles>
c1(c(cccc1/C=C/1\SC(=O)NC1=O)c1ccccc1)N1CCC[C@H](C1)N

> <pd_targets>
{PIM1,PIM3,PIM2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","FLT3 signaling in disease","Signaling by FLT3 ITD and TKD mutants","STAT5 activation downstream of FLT3 ITD
 mutants"}

> <broad_targets>
{PIM1,PIM2,PIM3}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{AZD1208,1204144-28-4,1204144284,AZD-1208,UNII-S98NFM1378,UNIIS98NFM1378,CHEMBL2048872,S98NFM1378,"AZD 1208",GTPL7698,SCHEMBL1580644,AOB87151,EX-A1804,EXA1804,2236AH,BDBM50387298,MFCD25976757,NSC77606
6,NSC799343,s7104,ZINC84670255,AKOS025404917,CCG-268400,CCG268400,CS-1668,CS1668,NSC-776066,NSC-799,NSC799,T2300}

> <pdid>
PD010621

> <targets>
{Pim,Pim1,Pim2,Pim3,Apoptosis,Autophagy}

> <classes>
{Chromatin/Epigenetic,JAK/STAT signaling,Apoptosis,Autophagy,JAK/STAT Signaling}

> <pubchem_cids>
{58423153}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    9.0755  -14.2726    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 O   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 N   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13135

> <plate>
PLATE 002

> <well>
G5

> <supplier_cmpd_name>
SantacruzaMate A

> <ctcr_id>
11583

> <supplier_cmpd_id>
T2266

> <smiles>
CCOC(=O)NCCCC(=O)NCCc1ccccc1

> <pd_targets>
{HDAC3,NCOR2,HDAC6,HDAC4,HDAC5,HDAC7,HDAC1,HDAC2,HDAC8,HDAC10,HDAC11,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental
 Biology",Mitotic,"Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","M Phase","Transcriptional regulation by RUNX2","Signaling by NOTCH1 HD+PEST
 Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","RUNX2 regulates bone development","Constitutive Signaling by NOTCH
1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Mitotic Anaphase","RUNX2 regulates osteoblast differentiation","RUNX2 regulates chondrocyte matura
tion","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"santacruzamate A",1477949-42-0,1477949420,CAY10683,"Santacruzamate A (CAY10683)","CAY10683 (SantacruzaMate A)","Ethyl (4-oxo-4-(phenethylamino)butyl)carbamate","Ethyl (4oxo4(phenethylamino)butyl)car
bamate","ethyl N-(4-oxo-4-(2-phenylethylamino)butyl)carbamate","ethyl N(4oxo4(2phenylethylamino)butyl)carbamate",CHEMBL3086767,"Carbamic acid",N-(4,N(4,T2266,"SantacruzaMate A"}

> <pdid>
PD010275

> <targets>
{HDAC2,HDAC4,HDAC6}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{72946782}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 S   0  0
    1.2948    3.7517    0.0000 O   0  0
    1.2973    2.2519    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    5.1939    3.0097    0.0000 C   0  0
    5.1970    1.5097    0.0000 C   0  0
    6.4914    3.7624    0.0000 C   0  0
    6.4883    5.2624    0.0000 C   0  0
    7.7858    6.0151    0.0000 Br  0  0
    5.1877    6.0097    0.0000 C   0  0
    3.8902    5.2570    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  9  1  0
  4 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 18  1  0
 25 26  2  0
 26  3  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13136

> <plate>
PLATE 002

> <well>
G6

> <supplier_cmpd_name>
OF-1

> <ctcr_id>
12513

> <supplier_cmpd_id>
T2127

> <smiles>
COc1c(NS(=O)(=O)c2c(C)cc(Br)cc2)cc2n(C)c(=O)n(C)c2c1

> <pd_targets>
{BRPF3,BRPF1,BRD1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain,"Methyl-lysine/arginine binding protein","PWWP domain"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Bromodomain-containing proteins","Chromatin modifying enzymes","Non-enzymatic BRD containing proteins","Enzymatic bromodomain-containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Acetylation"}

> <broad_targets>
{BRD1}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{F,OF-1,OF1,919973-83-4,919973834,"SGC OF-1","SGC OF1","OF 1",CHEMBL3770173,C17H18BrN3O4S,5XE,GTPL9523,AOB6627,BCP14538,EX-A2269,EXA2269,3946AH,BDBM50148549,MFCD26964046,s7681,ZINC28049103,AKOS0004812
48,CCG-269119,CCG269119,CS-3687,CS3687,MCULE-1007409241,MCULE1007409241,"OF-1, >=98 (HPLC)","OF1, >=98 (HPLC)",NCGC00384195-05,NCGC0038419505,AK546890,A,T2127}

> <pdid>
PD000014

> <targets>
{BRPF1B,BRPF2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{35397514}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8988   -3.7512    0.0000 C   0  0
    2.5997   -3.0012    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5018    3.7420    0.0000 N   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1021    3.7310    0.0000 N   0  0
  -10.3974    2.9744    0.0000 C   0  0
  -10.3898    1.4745    0.0000 C   0  0
  -11.6873    0.7202    0.0000 C   0  0
  -12.9891    1.4654    0.0000 O   0  0
  -11.6824   -0.7798    0.0000 N   0  0
   -9.0870    0.7310    0.0000 C   0  0
   -9.0763   -0.7698    0.0000 N   0  0
   -7.7717   -1.5117    0.0000 C   0  0
   -7.0902   -2.7593    0.0000 C   0  0
   -6.3514   -1.4538    0.0000 C   0  0
   -7.7918    1.4876    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 26 31  2  0
 31 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13137

> <plate>
PLATE 002

> <well>
G7

> <supplier_cmpd_name>
Cerdulatinib

> <ctcr_id>
11527

> <supplier_cmpd_id>
T2487

> <smiles>
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(C(=O)N)c(NC2CC2)n1

> <pd_targets>
{CSF1R,JAK3,JAK2,JAK1,NUAK1,TYK2,SYK,MAP3K9,STK4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","STE protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kin
ase JakA family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","TKL protein kinase MLK family","STE protein kinase STE20 family","CAMK protein kinase NuaK subfamily","TKL pro
tein kinase MLK subfamily","STE protein kinase MST subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kina
ses","TK: Tyrosine kinase","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","STE20 family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","Mixed Line
age Kinase (MLK) family","MST subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family","Syk family","MLK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Cell Cycle",Disease,"Signal Transduction","RNA Polymerase II Transcription","Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Sign
aling by Hippo","Generic Transcription Pathway","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Interferon Signaling","Leishmania infection","Transcriptional Regulation by VENTX","
Interleukin-2 family signaling","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Transcriptional Regulation by TP53","Interferon alpha/beta signaling","Leishmania parasite growth and survival
","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","Regulation of TP53 Activity","Regulation of IFNA signaling","Anti-inflammatory response favouring Leishmani
a parasite infection","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated IL10 synthesis"}

> <broad_targets>
{SYK}

> <broad_moa>
{"JAK inhibitor","SYK inhibitor"}

> <synonyms>
{Cerdulatinib,1198300-79-6,1198300796,PRT062070,"Cerdulatinib (PRT062070)",UNII-D1LXQ45S1O,UNIID1LXQ45S1O,D1LXQ45S1O,CHEMBL4116008,"PRT 062070",PRT-062070,"Cerdulatinib (INN)",SCHEMBL736734,GTPL8957,B
CP10681,EX-A2143,EXA2143,PRT-2070,PRT2070,BDBM50468574,NSC800071,NSC825827,AKOS026750,T2487}

> <pdid>
PD012477

> <targets>
{JAK,JAK1,JAKs,Syk}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,JAK/STAT signaling,Stem Cells,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{44595079}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.1143    4.0030    0.0000 N   0  0
    2.5804    3.6943    0.0000 C   0  0
    3.0461    2.2684    0.0000 C   0  0
    3.5832    4.8108    0.0000 C   0  0
    5.0515    4.5039    0.0000 C   0  0
    6.0515    5.6219    0.0000 C   0  0
    5.5833    7.0470    0.0000 C   0  0
    4.1151    7.3540    0.0000 C   0  0
    3.1151    6.2360    0.0000 N   0  0
    0.5041    5.3733    0.0000 C   0  0
    1.2541    6.6723    0.0000 O   0  0
   -0.9876    5.2165    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -2.6367   -3.3928    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 O   0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
    2.6380   -3.3844    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  7 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19  6  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13138

> <plate>
PLATE 002

> <well>
G8

> <supplier_cmpd_name>
I-BET151

> <ctcr_id>
6564

> <supplier_cmpd_id>
T2120

> <smiles>
COc1cc2c3N(C(C)c4ccccn4)C(=O)Nc3cnc2cc1c5c(C)onc5C

> <pd_targets>
{BRD4,BRD3,CYP2C9,BRD2,CYP3A4,PDE4B,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,"Cytochrome P450",Phosphodiesterase,Writer,Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","Phosphodiesterase 4","Histone acetyltransferase","Cy
tochrome P450 family 2C","Cytochrome P450 family 3A","Phosphodiesterase 4B","p300/CBP family","Cytochrome P450 2C9","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Cytochrome P450","Cyclic nucleotide turnover/signalling","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","
CYP2 family: drug metabolising subset","CYP3 family",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Non-enzymatic BRD containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,Metabolism,"Gene expression (Transcription)","Signal Transduction","Infectious disease","Biological oxidations","RNA Polymerase II Transcription","Metabolism of lipids","Signaling by GPCR","S
ARS-CoV Infections","Phase I - Functionalization of compounds","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Potential thera
peutics for SARS","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Transcriptional Regulation by
 TP53",Xenobiotics,"RUNX3 regulates p14-ARF","Biosynthesis of maresins","Opioid Signalling","TP53 Regulates Transcription of Cell Death Genes","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","D
ARPP-32 events","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
{BRD2,BRD3,BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{"BET151 (GSK1210151A",SCHEMBL1904423,I-BET-151,IBET151,HMS3426K13,HMS3656D08,AKOS026750362,NCGC00389506-02,NCGC0038950602,AK-98133,AK98133,T2120,S2780,I-BET151,"I-BET151 (GSK1210151A)"}

> <pdid>
PD003679

> <targets>
{"Epigenetic Reader Domain"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{52934274}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.7740    3.3412    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 S   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 N   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    0.7500   -1.5574    0.0000 N   0  0
    2.6401   -3.4480    0.0000 C   0  0
   -3.1510   -0.7161    0.0000 C   0  0
   -4.1703    0.3855    0.0000 C   0  0
   -5.6334    0.0548    0.0000 O   0  0
   -3.7257    1.8181    0.0000 N   0  0
    0.0000    3.2293    0.0000 C   0  0
    1.3386    3.9148    0.0000 C   0  0
    1.4153    5.4128    0.0000 C   0  0
    0.1563    6.2283    0.0000 C   0  0
   -1.1794    5.5457    0.0000 C   0  0
   -1.2561    4.0476    0.0000 C   0  0
    0.2330    7.7263    0.0000 Cl  0  0
    5.2315    1.1941    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  5  1  0
 14 10  1  0
 13 15  1  0
  9 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
  3 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13139

> <plate>
PLATE 002

> <well>
G9

> <supplier_cmpd_name>
CPI-203

> <ctcr_id>
12477

> <supplier_cmpd_id>
T2442

> <smiles>
Cc1c(sc2c1C(=NC(c1nnc(n21)C)CC(=O)N)c1ccc(cc1)Cl)C

> <pd_targets>
{BRD4}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","Potential therapeutics for SARS"}

> <broad_targets>
{BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{PI20,202591-23-9,202591239,SCHEMBL17051088,HMS3653M10,HMS3743A19,BCP10446,AKOS026750488,AK198944,DA-34961,DA34961,FT-0700467,FT0700467,FT-0701728,FT0701728,J-690258,J690258,C1=2C(C)=C(C)SC=2N2C(C)=NN
=C2C(CC(N)=O)N=C1C1=CC=C(Cl)C=C1,T6026,T2442,CPI-203}

> <pdid>
PD010357

> <targets>
{BRD4}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{19704953}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
   -2.1571   -9.0669    0.0000 O   0  0
   -3.5959   -8.6430    0.0000 C   0  0
   -4.6824   -9.6772    0.0000 C   0  0
   -6.1213   -9.2533    0.0000 C   0  0
   -6.4737   -7.7953    0.0000 C   0  0
   -5.3872   -6.7611    0.0000 C   0  0
   -3.9482   -7.1849    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
 24 14  1  0
 24 17  2  0
 21 25  1  0
 25 26  3  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13140

> <plate>
PLATE 002

> <well>
G10

> <supplier_cmpd_name>
A 769662

> <ctcr_id>
6722

> <supplier_cmpd_id>
T2468

> <smiles>
Oc1ccccc1c2ccc(cc2)c3csc4NC(=O)C(=C(O)c34)C#N

> <pd_targets>
{PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","AMPK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Phosphorylation"}

> <broad_targets>
{}

> <broad_moa>
{"AMPK activator"}

> <synonyms>
{76966,844499-71-4,844499714,A-769662,A769662,"A 769662",UNII-P68477CD2C,UNIIP68477CD2C,CHEMBL512504,C20H12N2O3S,P68477CD2C,4cff,PubChem16661,cc-24,cc24,MLS006011221,SCHEMBL2669403,SCHEMBL15008545,CHE
BI:91429,GTPL10069,AOB1779,DTXSID30233425,EX-A380,EXA380,BCPP000450,HMS3295O03,HMS3413J08,T2468,S2697}

> <pdid>
PD010881

> <targets>
{AMPK,"AMPK agonist"}

> <classes>
{}

> <pubchem_cids>
{54708532}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    6.4978   -8.2349    0.0000 C   0  0
    7.7979   -7.4868    0.0000 O   0  0
    7.8010   -5.9859    0.0000 C   0  0
    9.1001   -5.2359    0.0000 C   0  0
    9.1000   -3.7359    0.0000 C   0  0
    7.8010   -2.9858    0.0000 N   0  0
    6.5020   -3.7359    0.0000 C   0  0
    6.5020   -5.2359    0.0000 C   0  0
    7.7980   -1.4850    0.0000 C   0  0
    9.0957   -0.7328    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5181    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 15  1  0
 25 20  1  0
 13 26  2  0
 26 27  1  0
 27 28  2  0
 28 11  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13141

> <plate>
PLATE 002

> <well>
G11

> <supplier_cmpd_name>
AZD2461

> <ctcr_id>
2440

> <supplier_cmpd_id>
T2484

> <smiles>
COC1CCN(CC1)C(=O)c2cc(CC3=NNC(=O)c4ccccc34)ccc2F

> <pd_targets>
{PARP1}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"Infectious disease","Influenza Infection","Influenza Viral RNA Transcription and Replication","vRNA Synthesis"}

> <broad_targets>
{}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{AZD2461,1174043-16-3,1174043163,"1174043 16 3",AZD-2461,"AZD 2461",4-(4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one,4(4fluoro3(4methoxypiperidine1carbonyl)benzyl)phthalazin1(
2H)one,"4 (4 fluoro 3 (4 methoxypiperidine 1 car",T2484,S7029}

> <pdid>
PD010646

> <targets>
{PARP}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{44199317}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 O   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.2149    3.8587    0.0000 C   0  0
    1.6225    6.5037    0.0000 C   0  0
    1.0079    7.8729    0.0000 C   0  0
    1.7603    9.1558    0.0000 C   0  0
    0.7509   10.2654    0.0000 N   0  0
   -0.6163    9.6484    0.0000 N   0  0
   -0.4519    8.1574    0.0000 C   0  0
   -1.5554    7.1415    0.0000 O   0  0
   -1.9197   10.3921    0.0000 C   0  0
   -2.0389   11.8824    0.0000 C   0  0
   -3.3940   12.5256    0.0000 C   0  0
   -4.6286   11.6737    0.0000 C   0  0
   -4.5081   10.1786    0.0000 C   0  0
   -3.1531    9.5353    0.0000 C   0  0
   -5.9858   12.3145    0.0000 C   0  0
   -6.1088   13.8095    0.0000 O   0  0
   -7.2192   11.4609    0.0000 O   0  0
    3.2522    9.3114    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  3
   -2.6030    2.9977    0.0000 O   0  5
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 23 25  2  0
 12 26  1  0
  4 27  2  0
 27 28  1  0
 28 29  2  0
 29  2  1  0
 29 30  1  0
 27 31  1  0
 31 32  1  0
 31 33  2  0
M  CHG  2  31   1  32  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13142

> <plate>
PLATE 002

> <well>
H2

> <supplier_cmpd_name>
C646

> <ctcr_id>
7358

> <supplier_cmpd_id>
T2452

> <smiles>
Cc1cc(c2oc(cc2)\C=C/3C(=NN(C3=O)c4ccc(cc4)C(O)=O)C)c(cc1C)[N+]([O-])=O

> <pd_targets>
{EP300,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{"Other protein targets","Bromodomain-containing proteins","Non-enzymatic BRD containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","TP53 Regulates Transcription of
 Cell Death Genes","Regulation of TP53 Activity through Acetylation","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
{EP300}

> <broad_moa>
{"histone acetyltransferase inhibitor"}

> <synonyms>
{C646,328968-36-1,328968361,"C 646",CHEMBL1797936,C24H19N3O6,GTPL7004,SCHEMBL12092858,DTXSID30361651,QCR-235,QCR235,CHEBI:132974,HMS3886H11,ZINC8780879,2295AH,MFCD01784780,s7152,AKOS000113052,CCG-2691
82,CCG269182,SB19338,"CID 1285941",AS-55831,AS55831,ST020490,"C646, >=98 (HPLC)",A1281,S7152}

> <pdid>
PD003363

> <targets>
{"Histone Acetyltransferase"}

> <classes>
{}

> <pubchem_cids>
{1285941}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 18  1  0
 26 22  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13143

> <plate>
PLATE 002

> <well>
H3

> <supplier_cmpd_name>
Baricitinib

> <ctcr_id>
6687

> <supplier_cmpd_id>
T2485

> <smiles>
CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{JAK2,TYK2,JAK3,AAK1,JAK1,BMP2K,GAK,PTK2B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","Tyrosine protein kinase JakA family","Other protein kinase NAK family","Tyrosine protein kinase Fak family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","NAK family","Numb-associated kinase (NAK) family","Janus kina
se (JakA) family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Vesicle-mediated transport",Mitotic,"Cytokine Signaling in Immune system","Membrane Trafficking","Mitotic G1 phase and G1/S transition","Interferon Signaling","Signaling
 by Interleukins","Clathrin-mediated endocytosis","trans-Golgi Network Vesicle Budding","G1 Phase","Interferon alpha/beta signaling","Interleukin-2 family signaling","Cargo recognition for clathrin-me
diated endocytosis","Antiviral mechanism by IFN-stimulated genes","Golgi Associated Vesicle Biogenesis","Cyclin D associated events in G1","Regulation of IFNA signaling","Interleukin-15 signaling","IS
G15 antiviral mechanism","Interleukin-2 signaling"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Baricitinib,1187594-09-7,1187594097,INCB028050,olumiant,LY3009104,"INCB 028050",INCB-028050,UNII-ISP4442I3Y,UNIIISP4442I3Y,"Baricitinib (LY3009104, INCB028050)",LY-3009104,ISP4442I3Y,"LY 3009104","11
87594-09-7 (free base)","1187594097 (free base)","LY3009104 (phosphate);INCB02805",T2485,S2851,"Baricitinib (LY3009104)"}

> <pdid>
PD010550

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{44205240}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    2.6109    7.4988    0.0000 O   0  0
    3.9055    5.2465    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  4 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13144

> <plate>
PLATE 002

> <well>
H4

> <supplier_cmpd_name>
FG-2216

> <ctcr_id>
11740

> <supplier_cmpd_id>
T2445

> <smiles>
Clc1nc(c(O)c2c1cccc2)C(=O)NCC(=O)O

> <pd_targets>
{BBOX1,FTO,EGLN1,A085R}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Cellular responses to external stimuli","Metabolism of amino acids and derivatives","DNA Damage Reversal","Cellular responses to stress","Carnitine synthesis","Reversal of al
kylation damage by DNA dioxygenases","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{EGLN1,EGLN2,HIF1A}

> <broad_moa>
{"hypoxia inducible factor prolyl hydroxylase inhibitor"}

> <synonyms>
{G221,FG-2216,FG2216,223387-75-5,223387755,N-((1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL)GLYCINE,N((1CHLORO4HYDROXYISOQUINOLIN3YL)CARBONYL)GLYCINE,UNII-RU921DS4Z5,UNIIRU921DS4Z5,CHEMBL426560,IOX3;YM
311,N-((1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl)glycine,N((1Chloro4hydroxy3isoquinolinyl)carbonyl)glycine,RU921DS4Z5,Glycine,N-((1-chloro-4-hydroxy-3-isoquinolinyl)carbonyl,N((1chloro4hydroxy3isoq
uinolinyl)carbonyl,T2445}

> <pdid>
PD004212

> <targets>
{PHD2,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Metabolism,Chromatin/Epigenetic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6914666}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 46 51  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1894    6.0109    0.0000 N   0  0
    5.1894    7.5110    0.0000 C   0  0
    6.4884    8.2610    0.0000 C   0  0
    7.7875    7.5110    0.0000 C   0  0
    7.7875    6.0110    0.0000 C   0  0
    6.4885    5.2610    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -6.5053   -5.2405    0.0000 N   0  0
   -7.8092   -5.9837    0.0000 C   0  0
   -9.1052   -5.2270    0.0000 C   0  0
  -10.4095   -5.9679    0.0000 C   0  0
  -11.7033   -5.2089    0.0000 C   0  0
  -11.6930   -3.7090    0.0000 C   0  0
  -10.3888   -2.9680    0.0000 C   0  0
   -9.0950   -3.7269    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -5.1985   -2.9950    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968    1.5003    0.0000 N   0  0
   -5.1015    3.0046    0.0000 C   0  0
   -6.2027    4.0231    0.0000 C   0  0
   -7.6856    3.7972    0.0000 C   0  0
   -8.4336    2.4970    0.0000 N   0  0
   -7.8833    1.1015    0.0000 C   0  0
   -6.4493    0.6617    0.0000 C   0  0
   -9.9325    2.6038    0.0000 C   0  0
  -10.7738    1.3619    0.0000 C   0  0
  -10.5878    3.9531    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
  4 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 25 33  1  0
 33 34  1  0
 34 22  1  0
 20 35  1  0
 35 16  1  0
 35 36  2  0
 36  3  1  0
 18 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 37  1  0
 41 44  1  0
 44 45  1  0
 44 46  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13145

> <plate>
PLATE 002

> <well>
H5

> <supplier_cmpd_name>
UNC0631

> <ctcr_id>
12531

> <supplier_cmpd_id>
T2354

> <smiles>
COc1c(OCCCN2CCCCC2)cc2nc(nc(NC3CCN(CC4CCCCC4)CC3)c2c1)N1CCCN(CC1)C(C)C

> <pd_targets>
{EHMT2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{UNC0631,1320288-19-4,1320288194,"UNC 0631",UNC-0631,CHEMBL1829305,SCHEMBL17909967,C37H61N7O2,HMS3748A09,BCP08635,EX-A2174,EXA2174,2781AH,BDBM50353132,ZINC72118635,AKOS026750443,SB19345,NCGC00189130-0
1,NCGC0018913001,NCGC00189130-05,NCGC0018913005,NCGC00189130-09,NCGC0018913009,HY-13808,HY13808,A13195,J-006106,J006106,T2354}

> <pdid>
PD012675

> <targets>
{G9a}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{53315868}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -3.7793  -11.3955    0.0000 O   0  0
   -4.2401   -9.9681    0.0000 C   0  0
   -5.7077   -9.6537    0.0000 N   0  0
   -6.7155  -10.7648    0.0000 C   0  0
   -8.1816  -10.4476    0.0000 C   0  0
   -8.6399   -9.0193    0.0000 N   0  0
   -7.6322   -7.9083    0.0000 C   0  0
   -6.1661   -8.2254    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13146

> <plate>
PLATE 002

> <well>
H6

> <supplier_cmpd_name>
KW2449

> <ctcr_id>
7182

> <supplier_cmpd_id>
T2341

> <smiles>
O=C(N1CCNCC1)c2ccc(cc2)/C=C/c3n[nH]c4ccccc34

> <pd_targets>
{MERTK,INSR,KIT,TLK1,CILK1,TNIK,IRAK4,MAP3K19,STK35,CSNK1D,MAP2K5,HIPK1,FYN,PKN1,NUAK2,MAP3K7,BMP2K,FGFR4,MYLK4,SBK1,MINK1,ACVR1,ACVR2B,PIP5K1A,BMPR2,CSNK1E,MAP3K10,MST1R,PDPK1,SRPK1,TTK,PRPF4B,FLT3,A
LK,EPHA2,EPHB6,LATS1,ABL1,DYRK1B,FER,EGFR,PRKAA2,CAMK2A,MET,RPS6KA2,EPHA6,SRPK2,FGFR3,IRAK3,AAK1,DAPK1,STK4,ABL2,HIPK3,CAMK1,RIPK2,PIP4K2B,STK24,MAP2K4,NEK4,MAP3K2,SGK3,LATS2,CDK17,STK11,ERN1,FES,LYN,
MAPK8,CAMK1D,MAP2K2,RPS6KA4,PAK4,ULK3,DAPK3,ACVR2A,BMX,FRK,JAK1,MAP2K3,TXK,CDC42BPG,TYK2,AURKA,CDKL2,BRSK2,CIT,IKBKE,INSRR,AURKC,DDR2,IGF1R,CSNK1G2,DDR1,MAP3K3,MAPK6,CAMK1G,SIK3,MARK1,PAK5,HIPK2,STK33
,MAPK9,SBK3,CDPK1,STK38L,MKNK2,RIPK4,GRK7,SIK1,TEK,STK39,TBK1,SRPK3,SLK,RET,FGFR1,MYLK2,MAP3K9,MYLK3,ZAP70,DSTYK,NEK7,NIM1K,SIK2,GRK4,NEK5,LTK,CSK,MAP4K2,ROCK2,EPHA1,ITK,PKN2,RPS6KA6,CHEK1,LRRK2,RPS6K
A3,GAK,NTRK2,PRKG2,FGR,YES1,CDK16,STK25,MYLK,AURKB,PRKG1,MAP3K13,PRKX,EPHB4,SRC,NTRK1,MYO3B,BLK,CSNK1A1,KDR,MAP3K11,NEK3,PAK2,PDGFRB,MAPK7,MAPK10,RPS6KA1,SYK,RIOK3,TNK1,CLK2,PRKAA1,STK16,MAP4K1,MAP2K6
,EIF2AK2,NEK2,ULK2,MELK,TNK2,BMPR1B,CDK7,CSNK2A2,FLT4,PAK1,MAPK11,MAP2K1,MAP4K3,RIPK1,STK17B,STK38,BTK,MATK,JAK3,TAOK3,PLK4,TSSK1B,BRSK1,CDK15,PTK2B,WEE2,RIOK2,CSNK1G1,CAMKK1,DCLK3,MAPK15,HIPK4,ANKK1,
TLK2,CDK4,MARK2,RIOK1,NEK9,CLK4,DMPK,EPHA7,EPHB1,STK17A,CHUK,PHKG1,OXSR1,MUSK,BMPR1A,RPS6KA5,JAK2,MAP3K4,STK10,CAMKK2,MAP4K5,IKBKB,PAK3,WEE1,STK32A,AXL,PRKD1,EIF2AK4,CHEK2,PRKD2,FGFR2,MARK4,PKNB,SRMS,
MAP3K20,DYRK1A,TAOK1,IRAK1,CSNK2A1,FLT1,MARK3,NEK1,CDK14,CLK1,NTRK3,PTK2,STK26,DCLK1,CSF1R,MAP3K12,DAPK2,HUNK,MYO3A,PAK6,MAP4K4,RPS6KB1,DYRK2,MAPKAPK5,CSNK1G3,ULK1,NEK6,PHKG2,EPHA3,ROCK1,TIE1,PRKD3,CL
K3,LCK,PDGFRA,HCK}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","STE protein kinase group","TKL protein kinase gro
up","CK1 protein kinase group","AGC protein kinase group","CAMK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase InsR family","Tyrosi
ne protein kinase PDGFR family","Other protein kinase TLK family","CMGC protein kinase RCK family","STE protein kinase STE20 family","TKL protein kinase IRAK family","STE protein kinase STE11 family",
"Other protein kinase NKF4 family","CK1 protein kinase CK1 family","STE protein kinase STE7 family","CMGC protein kinase DYRK family","Tyrosine protein kinase Src family","AGC protein kinase PKN famil
y","CAMK protein kinase CAMK1 family","TKL protein kinase MLK family","Other protein kinase NAK family","Tyrosine protein kinase FGFR family","CAMK protein kinase MLCK family","Other protein kinase NK
F1 family","TKL protein kinase STKR family","Tyrosine protein kinase Met family","AGC protein kinase PDK1 subfamily","CMGC protein kinase SRPK family","Other protein kinase TTK family","Tyrosine prote
in kinase Eph family","AGC protein kinase NDR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Fer family","Tyrosine protein kinase EGFR family","CAMK protein kinase CAMK2 family"
,"AGC protein kinase RSK family","CAMK protein kinase DAPK family","TKL protein kinase RIPK family","Other protein kinase NEK family","AGC protein kinase SGK family","CMGC protein kinase CDK family","
CMGC protein kinase MAPK family","Other protein kinase ULK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase JakA family","AGC protein kinase DMPK family","Other protein kinase AUR
 family","CMGC protein kinase CDKL family","Tyrosine protein kinase DDR family","CAMK protein kinase unique family","CAMK protein kinase MAPKAPK family","AGC protein kinase GRK family","Tyrosine prote
in kinase Tie family","Other protein kinase IKK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Csk fami
ly","TKL protein kinase LRRK family","Tyrosine protein kinase Trk family","AGC protein kinase PKG family","AGC protein kinase PKA family","Tyrosine protein kinase VEGFR family","Atypical protein kinas
e RIO family","Tyrosine protein kinase Ack family","CMGC protein kinase CLK family","Other protein kinase PEK family","Other protein kinase CK2 family","Other protein kinase PLK family","CAMK protein 
kinase TSSK family","Tyrosine protein kinase Fak family","Other protein kinase WEE family","Other protein kinase CAMKK family","CAMK protein kinase DCAMK1 family","CAMK protein kinase PHk family","Tyr
osine protein kinase Musk family","AGC protein kinase YANK family","CAMK protein kinase PKD family","CAMK protein kinase RAD53 family","CMGC protein kinase MAK","STE protein kinase MSN subfamily","CMG
C protein kinase HIPK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase NuaK subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase STKR1","TKL protein kinase STKR Type 2 subf
amily","TKL protein kinase MLK subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase RSK subfamily","STE 
protein kinase MST subfamily","STE protein kinase YSK subfamily","STE protein kinase MEKK2","CMGC protein kinase PCTAIRE","CAMK protein kinase LKB subfamily","CMGC protein kinase JNK subfamily","AGC p
rotein kinase MSK subfamily","STE protein kinase PAKB subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase ERK3",
"CAMK protein kinase QIK subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase GRK subfamily","STE protein kinase FRAY subfamily","STE protein kinase 
SLK subfamily","CAMK protein kinase NIM1 subfamily","STE protein kinase KHS subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase CHK1 subfamily","CMGC protein kinase TAIRE subfamily","T
KL protein kinase LZK subfamily","STE protein kinase NinaC subfamily","Other protein kinase Nek1","STE protein kinase PAKA subfamily","CMGC protein kinase ERK5","Atypical protein kinase RIO3 subfamily
","Other protein kinase PKR","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase PFTAI
RE","Other protein kinase WEE1","Atypical protein kinase RIO2 subfamily","Other protein kinase Meta subfamily","Atypical protein kinase RIO1 subfamily","Other protein kinase GCN2 subfamily","Tyrosine 
protein kinase Srm","AGC protein kinase p70 subfamily","CMGC protein kinase Dyrk2 subfamily","CAMK protein kinase MAPKAPK subfamily","CK1 protein kinase CK1-g"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases",Atypical,"TK: Tyrosine kinase","Other protein kinases","R
CK family","STE20 family","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","STE7 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Protein kinase N (PKN
) family","CAMK-like (CAMKL) family","Myosin Light Chain Kinase (MLCK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","PDK1 family","SRPK family","NDR family","CAMK2
 family","RSK family","Death-associated kinase (DAPK) family","CAMK1 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","STE11 family","SGK family","Cyclin-dependent ki
nase (CDK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","Cyclin-dependent kinase-like (CDKL) family","CAMK-unique family","MAPK-Activated Protein Kinase (MAPKAPK) family","G
 protein-coupled receptor kinases (GRKs)","Protein kinase G (PKG) family","Protein kinase A (PKA) family","RIO family","CLK family","Testis specific kinase (TSSK) family","DCAMKL family","Phosphorylas
e kinase (PHK) family","YANK family","Protein kinase D (PKD) family","Receptor tyrosine kinases (RTKs)","Tousled-like kinase (TLK) family","MSN subfamily","Interleukin-1 receptor-associated kinase (IR
AK) family","STE20 subfamily","NKF4 family","HIPK subfamily","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","NKF1 fa
mily","Receptor serine/threonine kinase (RSTK) family","TTK family","PRP4 subfamily","Dyrk1 subfamily","AMPK subfamily","RSK subfamily","NAK family","MST subfamily","Receptor interacting protein kinas
e (RIPK) family","YSK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TAIRE subfamily","LKB subfamily","IRE family","JNK subfamily","MSK subfamily","PAKB subfamily","Unc-51-l
ike kinase (ULK) family","GEK subfamily","Aurora kinase (Aur) family","BRSK subfamily","Other DMPK family kinases","IKK family","ERK subfamily","QIK subfamily","MARK subfamily","MKN subfamily","Opsin/
rhodopsin kinases","FRAY subfamily","SLK subfamily","Other-unique family","NIM1 subfamily","GRK4 subfamily","KHS subfamily","Rho kinase","CHK1 subfamily","Leucine-rich repeat kinase (LRRK) family","Ni
naC subfamily","PAKA subfamily","RIO3 subfamily","PEK family","MELK subfamily","CDK7 subfamily","Casein kinase 2 (CK2) family","p38 subfamily","TAO subfamily","Polo-like kinase (PLK) family","WEE fami
ly","RIO2 subfamily","CAMKK family","Erk7 subfamily","CDK4 subfamily","RIO1 subfamily","HUNK subfamily","p70 subfamily","Dyrk2 subfamily","MAPKAPK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-
TK) receptor family","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family","TAK1 subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor 
family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","MLK subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte t
yrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","Abl family","Fer family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","Janus kinase (JakA)
 family","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","Type XIV RTKs: RET","Syk family","Csk family","Type VII RTKs: Neurotrophin receptor/Trk 
family","LZK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Ack family","Other PEK family kinases","Fak family","Meta subfamily","Type IX RTKs: MuSK","GCN2 subfa
mily"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction",Disease,"Cellular responses to external stimuli","Immune System","Cell Cycle","Gene expression (Transcription)","Developmental Biology",Metabolism,"Neuronal System","
Vesicle-mediated transport","Programmed Cell Death","Transport of small molecules","Metabolism of proteins","Extracellular matrix organization","Circadian Clock","DNA Repair","Metabolism of RNA","Musc
le contraction","Organelle biogenesis and maintenance",Autophagy,"Cell surface interactions at the vascular wall","Intracellular signaling by second messengers","Diseases of signal transduction by gro
wth factor receptors and second messengers","Cellular responses to stress","Innate Immune System",Mitotic,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Infectious disease
","Signaling by Rho GTPases","Signaling by NODAL","Metabolism of lipids","Signaling by TGFB family members","Nervous system development","Signaling by Hippo","Signaling by GPCR","Transmission across C
hemical Synapses","Membrane Trafficking",Apoptosis,"Ion channel transport","Unfolded Protein Response (UPR)","Signaling by Hedgehog","Cytokine Signaling in Immune system","Non-integrin membrane-ECM in
teractions","MAPK family signaling cascades","Adaptive Immune System","DNA Double-Strand Break Repair","Signaling by Non-Receptor Tyrosine Kinases","Platelet homeostasis","rRNA processing","Cardiac co
nduction","Metabolism of carbohydrates","ECM proteoglycans","Cell Cycle Checkpoints","Cilium Assembly","MTOR signalling",Macroautophagy,"PIP3 activates AKT signaling","Signaling by KIT in disease","Ce
llular Senescence","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Signaling by NTRKs","Generic Transcription Pathway","HIV Infection","RHO GTPase Effectors","Signaling by FGFR","Regulation of
 signaling by NODAL","Phospholipid metabolism","Signaling by BMP","Signaling by MST1","Signaling by Insulin receptor","Axon guidance","Leishmania infection","Signaling by SCF-KIT","GPCR downstream sig
nalling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by FGFR in disease","Clathrin-mediated endocytosis","Caspase activation via extrinsic apoptotic signalling pathway
","Apoptotic execution phase","Stimuli-sensing channels","IRE1alpha activates chaperones","Hedgehog 'on' state","Interferon Signaling","Fc epsilon receptor (FCERI) signaling","Signaling by Type 1 Insu
lin-like Growth Factor 1 Receptor (IGF1R)","Sphingolipid metabolism","Signaling by Interleukins","MAPK6/MAPK4 signaling","MAPK1/MAPK3 signaling","TCR signaling","M Phase","Oncogenic MAPK signaling","H
omology Directed Repair","Signaling by PTK6","trans-Golgi Network Vesicle Budding","Nitric oxide stimulates guanylate cyclase","Signaling by WNT in cancer","Signaling by VEGF","rRNA processing in the 
nucleus and cytosol","Influenza Infection","Regulation of mitotic cell cycle","Signaling by ERBB2","Mitotic G1 phase and G1/S transition","Ion homeostasis","Glycogen metabolism","Neutrophil degranulat
ion","G2/M Checkpoints","Response of EIF2AK4 (GCN2) to amino acid deficiency","Anchoring of the basal body to the plasma membrane","mTORC1-mediated signalling","Selective autophagy","Signaling by PDGF
R in disease","Negative regulation of the PI3K/AKT network","Drug resistance of KIT mutants","Oxidative Stress Induced Senescence","Toll Like Receptor 2 (TLR2) Cascade","G2/M Transition","Signaling by
 NTRK1 (TRKA)","Transcriptional Regulation by TP53","Host Interactions of HIV factors","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Signaling by FGFR4","PI Metabolism","Insulin r
eceptor signalling cascade","EPH-Ephrin signaling","Parasite infection","G alpha (q) signalling events","Activation of NMDA receptors and postsynaptic events","Semaphorin interactions","Toll Like Rece
ptor 5 (TLR5) Cascade","Signaling by FGFR3 in disease","Cargo recognition for clathrin-mediated endocytosis","Caspase activation via Dependence Receptors in the absence of ligand","Signaling by ROBO r
eceptors","Apoptotic cleavage of cellular proteins","Leishmania parasite growth and survival","L1CAM interactions","PTEN Regulation","Antiviral mechanism by IFN-stimulated genes","FCERI mediated Ca+2 
mobilization","Interferon alpha/beta signaling","RHO GTPases activate CIT","IGF1R signaling cascade","Sphingolipid de novo biosynthesis","Interleukin-1 family signaling","G alpha (i) signalling events
","RAF/MAP kinase cascade","RET signaling","Signaling by FGFR1 in disease","Generation of second messenger molecules","Mitotic Prophase","Signaling by RAS mutants","HDR through Homologous Recombinatio
n (HRR) or Single Strand Annealing (SSA)","PTK6 promotes HIF1A stabilization","Golgi Associated Vesicle Biogenesis","RHO GTPases activate PAKs","Mitotic Metaphase and Anaphase","cGMP effects","Transcr
iptional regulation by RUNX1","Signaling by AMER1 mutants","VEGFA-VEGFR2 Pathway","Major pathway of rRNA processing in the nucleolus and cytosol","NS1 Mediated Effects on Host Pathways","APC/C-mediate
d degradation of cell cycle proteins","HIV Life Cycle","VEGF ligand-receptor interactions","Downregulation of ERBB2 signaling","Interleukin-2 family signaling","G1 Phase","Glycogen breakdown (glycogen
olysis)","G2/M DNA damage checkpoint","Signaling by FGFR2 in disease","PTK6 Down-Regulation","G0 and Early G1","Signaling by NTRK3 (TRKC)","Transcriptional Regulation by VENTX",Mitophagy,"Drug resista
nce of PDGFR mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","Centrosome maturation","Signalling to ERK5","Regulation
 of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","MyD88-independent 
TLR4 cascade","Downstream signaling of activated FGFR4","Synthesis of PIPs at the plasma membrane","IRS-mediated signalling","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Lei
shmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Post NMDA receptor activation events","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","Signaling
 by FGFR3 point mutants in cancer","Role of ABL in ROBO-SLIT signaling","CRMPs in Sema3A signaling","Anti-inflammatory response favouring Leishmania parasite infection","Signalling to ERKs","Recycling
 pathway of L1","Activation of RAC1","Regulation of PTEN stability and activity","ISG15 antiviral mechanism","Regulation of IFNA signaling","IRS-related events triggered by IGF1R","Interleukin-1 signa
ling","Visual phototransduction","FGFR1 mutant receptor activation","Nuclear Envelope Breakdown","Signaling downstream of RAS mutants","HDR through Homologous Recombination (HRR)","Activation of TRKA 
receptors","RAS processing","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Truncations of AMER1 destabilize the destruction complex","VEGFR2 mediated cell proli
feration","Inhibition of PKR","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Late Phase of HIV Life Cycle","VEGF binds to VEGFR leading to receptor dimerization","Inte
rleukin-15 signaling","Interleukin-2 signaling","Cyclin D associated events in G1","Ephrin signaling","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","FGFR2 mutant receptor activation
","Activated NTRK3 signals through PI3K","Receptor Mediated Mitophagy","Imatinib-resistant PDGFR mutants","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Loss of proteins required for interph
ase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","TRIF(TICAM1)-mediated TLR4 signaling","FRS-mediated FGFR4 signali
ng","Regulation of TP53 Expression and Degradation","PI3K Cascade","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","CREB1 phosphorylation through NMDA receptor-mediated activation of 
RAS signaling","Sema4D mediated inhibition of cell attachment and migration","MAP kinase activation","FGFR3 mutant receptor activation","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Ac
tivity through Acetylation","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events","The phototransduction cascade","Signaling by activated point mutants of FGFR1","Activation of NIMA Kinas
es NEK9",NEK6,NEK7,"Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairing and Strand Exchange","NGF-independant TRKA activation","Separation of Sister Chromatids","ADORA2B me
diated anti-inflammatory cytokines production","Signalling to RAS","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV genome","Activation of AMPK downstream of NMDARs","A
ctivated point mutants of FGFR2","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TA
K1 complex within TLR4 complex","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases","Signaling by activated 
point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","PI5P Regulates TP53 Acetylation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-med
iated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Presynaptic phase of homologous DNA p
airing and strand exchange","p38MAPK events","ARMS-mediated activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elo
ngation","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation","CREB phosphorylation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","APC-Cdc20 med
iated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KW-2449,KW2449,1000669-72-6,1000669726,"KW 2449",(E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone,(E)(4(2(1Hindazol3yl)vinyl)phenyl)(piperazin1yl)methanone,UNII-2D9N67F58G,UNII2D9N67
F58G,CHEMBL1908397,(4-((E)-2-(1H-indazol-3-yl)ethenyl)phenyl)-piperazin-1-ylmethanone,(4((E)2(1Hindazol3yl)ethenyl)phenyl)piperazin1ylmethanone,2D9N67F58G,"897016-82-9 (free base)","897016829 (free ba
se)",841258-76-2,841258762,T2341,S2158}

> <pdid>
PD003499

> <targets>
{FLT-3,Flt,Bcr-Abl,"Aurora Kinase",Apoptosis,FGFR,FLT3}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Epigenetics,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{11427553}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
   -6.5549   14.2435    0.0000 C   0  0
   -6.5458   12.7435    0.0000 N   0  0
   -5.2423   12.0014    0.0000 C   0  0
   -5.2332   10.5014    0.0000 C   0  0
   -6.5277    9.7436    0.0000 N   0  0
   -7.8313   10.4858    0.0000 C   0  0
   -7.8403   11.9857    0.0000 C   0  0
   -6.5187    8.2429    0.0000 C   0  0
   -5.2163    7.4985    0.0000 C   0  0
   -5.2097    5.9985    0.0000 C   0  0
   -6.5054    5.2428    0.0000 C   0  0
   -6.5018    3.7420    0.0000 N   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1021    3.7310    0.0000 N   0  0
  -10.3974    2.9744    0.0000 C   0  0
  -10.3898    1.4745    0.0000 C   0  0
  -11.6850    0.7179    0.0000 C   0  0
   -9.0870    0.7310    0.0000 C   0  0
   -9.0763   -0.7698    0.0000 N   0  0
   -7.7717   -1.5117    0.0000 C   0  0
   -7.7589   -3.0117    0.0000 C   0  0
   -6.4535   -3.7506    0.0000 C   0  0
   -5.1609   -2.9896    0.0000 C   0  0
   -5.1737   -1.4897    0.0000 C   0  0
   -6.4790   -0.7508    0.0000 C   0  0
   -3.8804   -0.7282    0.0000 S   0  0
   -3.8936    0.7717    0.0000 O   0  0
   -2.5881    0.0334    0.0000 O   0  0
   -2.5738   -1.4667    0.0000 N   0  0
   -1.2805   -0.7053    0.0000 C   0  0
    0.0254   -1.4434    0.0000 C   0  0
   -1.2937    0.7947    0.0000 C   0  0
    0.0118    0.0563    0.0000 C   0  0
   -7.7918    1.4876    0.0000 N   0  0
   -7.8077    5.9870    0.0000 C   0  0
   -7.8144    7.4870    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 18 34  2  0
 34 13  1  0
 11 35  1  0
 35 36  2  0
 36  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13147

> <plate>
PLATE 002

> <well>
H7

> <supplier_cmpd_name>
TG101209

> <ctcr_id>
5042

> <supplier_cmpd_id>
T3065

> <smiles>
CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C)n3)cc2

> <pd_targets>
{BRDT,BRD4,FLT3,JAK2,WEE1,ALK}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Kinase,Bromodomain,"Protein Kinase","TK protein kinase group","Other protein kinase group","TKL protein kinase group","Tyrosine protein kinase PDGFR family","Tyro
sine protein kinase JakA family","Other protein kinase WEE family","TKL protein kinase STKR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Bromodomain-containing proteins","Chromatin modifying enzymes","Catalytic receptors","Non-enzymatic BRD containing proteins","Enzymatic bromodomain-containi
ng proteins","Receptor kinases","Bromodomain kinase (BRDK) family","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","WEE family"
,"Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle","Infectious disease","Signaling by Receptor Tyrosine Kinases",Mitotic,"Cell Cycle Checkpoints","SARS-CoV Infections","Signaling by Insulin receptor","Mitoti
c G1 phase and G1/S transition","G2/M Checkpoints","Potential therapeutics for SARS","Insulin receptor signalling cascade","G1 Phase","G2/M DNA damage checkpoint","IRS-mediated signalling","Cyclin D a
ssociated events in G1","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","PI3K Cascade"}

> <broad_targets>
{JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{TG101209,936091-14-4,936091144,TG-101209,"TG 101209",CHEBI:90304,C26H35N7O2S,1M3,Kinome_702,Kinome702,Kinome-702,"Kinome 702",cc-108,cc108,MLS006011064,SCHEMBL265061,CHEMBL1995703,AMY9224,DTXSID80587
364,SYN1103,BDBM192755,HMS3656B15,AOB87369,BCP02514,EX-A1753,EXA1753,ABP000835,MFCD15528085,s2692,ZINC635398,T3065,SY-TG101209,S2692}

> <pdid>
PD010884

> <targets>
{JAK,Flt,JAK2,FLT3,c-RET,Apoptosis,Autophagy,RET}

> <classes>
{JAK/STAT,Apoptosis,Autophagy,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{16722832}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
    1.5200  -13.1808    0.0000 C   0  0
    1.0992  -11.7411    0.0000 O   0  0
    2.1355  -10.6554    0.0000 C   0  0
    1.7166   -9.2151    0.0000 C   0  0
    2.7546   -8.1322    0.0000 C   0  0
    4.2060   -8.4893    0.0000 C   0  0
    4.6302   -9.9300    0.0000 C   0  0
    3.5922  -11.0129    0.0000 C   0  0
    5.3273   -7.4917    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 S   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    6.5408   -5.3899    0.0000 N   0  0
    7.5445   -6.5046    0.0000 N   0  0
    6.7945   -7.8036    0.0000 C   0  0
    7.4049   -9.1746    0.0000 C   0  0
    8.8759   -9.4415    0.0000 C   0  0
    9.3812  -10.8538    0.0000 C   0  0
    8.4107  -11.9975    0.0000 N   0  0
    6.9349  -11.7289    0.0000 C   0  0
    6.4297  -10.3166    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 24 28  1  0
 28 15  1  0
 28 29  2  0
 10 30  2  0
 30 31  1  0
 31 32  2  0
 32  9  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13148

> <plate>
PLATE 002

> <well>
H8

> <supplier_cmpd_name>
WIKI4

> <ctcr_id>
12340

> <supplier_cmpd_id>
T3062

> <smiles>
COc1ccc(cc1)n1c(SCCCn2c(=O)c3cccc4c3c(ccc4)c2=O)nnc1c1ccncc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TNKS2}

> <broad_moa>
{"tankyrase inhibitor","WNT pathway inhibitor"}

> <synonyms>
{WIKI4,838818-26-1,838818261,WIKI-4,C29H23N5O3S,4bfp,CBKinase1_012189,CBKinase1012189,CBKinase1-012189,"CBKinase1 012189",CBKinase1_024589,CBKinase1024589,CBKinase1-024589,"CBKinase1 024589","WIKI 4; 
WIKI-4","WIKI 4; WIKI4",CHEMBL4303453,SCHEMBL17189791,AOB4208,SYN5246,HMS3653D09,BCP15357,EX-A1452,EXA1452,2802AH,MFCD05885187,s7490,STK807778,ZINC16474687,AKOS002318597,CCG-269866,CCG269866,MCULE-7,M
CULE7,T3062}

> <pdid>
PD010296

> <targets>
{TNKS2,PARP,²-catenin}

> <classes>
{Metabolism,Cell Cycle/DNA Damage,Epigenetics,Stem Cell/Wnt}

> <pubchem_cids>
{2984337}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 32  0  0  0  0            999 V2000
    6.8970   -5.5078    0.0000 O   0  0
    6.5365   -4.0517    0.0000 C   0  0
    7.6181   -3.0113    0.0000 N   0  0
    9.0603   -3.4268    0.0000 C   0  0
   10.4292   -3.0435    0.0000 C   0  0
   10.0108   -4.4839    0.0000 C   0  0
    5.0944   -3.6362    0.0000 N   0  0
    4.0146   -4.6747    0.0000 C   0  0
    4.2107   -6.1619    0.0000 C   0  0
    2.8570   -6.8080    0.0000 N   0  0
    1.8242   -5.7201    0.0000 N   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 O   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  4  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 17 25  2  0
 25 26  1  0
 26 27  2  0
 27 15  1  0
 27 28  1  0
 28 13  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13149

> <plate>
PLATE 002

> <well>
H9

> <supplier_cmpd_name>
AT9283

> <ctcr_id>
11442

> <supplier_cmpd_id>
T3068

> <smiles>
O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BDBM27087,J-504568,J504568,GTPL7949,SCHEMBL15005492,SCHEMBL15005494,AT9283,896466-04-9,896466049,AT-9283,"AT 9283",UNII-XAV9KYN9WL,UNIIXAV9KYN9WL,"AT-9283 free base","AT9283 free base",XAV9KYN9WL,CHE
MBL495727,"896466-04-9 (free base)","896466049 (free base)","AT 9283, (2S)-2-hydroxy-propanoic acid salt","AT 9283, (2S)2hydroxypropanoic acid salt",C19H23N7O2,896466-7,8964667,T3068}

> <pdid>

> <targets>
{"Aurora | FLT-3 | JAK | Src-bcr-Abl","Aurora A","Aurora B","Abl1 (T315I)",JAK2,JAK3}

> <classes>
{Angiogenesis,"Cell Cycle/Checkpoint",Chromatin/Epigenetic,"Cytoskeletal Signaling","JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{135398495}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 S   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6975    3.7386    0.0000 N   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13150

> <plate>
PLATE 002

> <well>
H10

> <supplier_cmpd_name>
Tenovin-3

> <ctcr_id>
11444

> <supplier_cmpd_id>
T1873

> <smiles>
CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc(N)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ENOVIN,Tenovin-3,Tenovin3,1011301-27-1,1011301271,QC-514,QC514,1-(4-Amino-phenyl)-3-(4-tert-butyl-benzoyl)-thiourea,1(4Aminophenyl)3(4tertbutylbenzoyl)thiourea,N-((4-aminophenyl)carbamothioyl)-4-(ter
t-butyl)benzamide,N((4aminophenyl)carbamothioyl)4(tertbutyl)benzamide,"Benzamide, N-(((4-aminophenyl)amino)thioxomethyl)-4-(1,1-dimethylethyl)-","Benzamide, N(((4aminophenyl)amino)thioxomethyl)4(1,1di
methylethyl)",N-((4-aminophenyl)carbamothioy,N((4aminophenyl)carbamothioy,T1873}

> <pdid>
PD018611

> <targets>
{SIRT2}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{24772097}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 O   0  0
   -4.8053   -4.6666    0.0000 C   0  0
   -6.2966   -4.8284    0.0000 O   0  0
   -3.9195   -5.8781    0.0000 N   0  0
   -4.5249   -7.2514    0.0000 C   0  0
   -3.6413   -8.4636    0.0000 C   0  0
   -4.2492   -9.8349    0.0000 C   0  0
   -5.7407   -9.9941    0.0000 C   0  0
   -6.3517  -11.3650    0.0000 C   0  0
   -7.8443  -11.5221    0.0000 N   0  0
   -8.4570  -12.8913    0.0000 C   0  0
   -9.9491  -13.0454    0.0000 C   0  0
  -10.8285  -11.8303    0.0000 O   0  0
  -10.2159  -10.4611    0.0000 C   0  0
   -8.7239  -10.3070    0.0000 C   0  0
   -6.6244   -8.7820    0.0000 C   0  0
   -6.0165   -7.4107    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 19 27  1  0
 27 28  2  0
 28 16  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13151

> <plate>
PLATE 002

> <well>
H11

> <supplier_cmpd_name>
CID-2011756

> <ctcr_id>
11445

> <supplier_cmpd_id>
T1863

> <smiles>
Clc1cccc(c1)c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1

> <pd_targets>
{HPGD,L3MBTL1,ALDH1A1,ARFGAP1,KMT2A,MEN1,FTL,PRKD1,HSD17B10,TSHR,MAPK1,MAPT,LEF,AMPC}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Protease,Reader,Oxidoreductase,Kinase,"Cysteine protease","Methyl-lysine/arginine binding protein",Bromodomain,"Protein Kinase","Cysteine protease
 CA clan","MBT domain","CAMK protein kinase group","Cysteine protease C1A family","CAMK protein kinase PKD family","Membrane receptor","Other cytosolic protein","Family A G protein-coupled receptor",H
ydrolase,"Peptide receptor (family A GPCR)","Metallo protease","Glycohormone receptor","CMGC protein kinase group","Metallo protease MAE clan","CMGC protein kinase MAPK family","Metallo protease M34 f
amily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Kinases (EC 2.7.x.x)","Prostaglandin synthases","CAMK: Calcium/calmodulin-dependent protein kinases","Protein kinase D (PKD) family",Receptors,"G protein-coupled recept
ors","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Vesicle-mediated transport","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxidations","Membrane Trafficking","Biosynthesis of spec
ialized proresolving mediators (SPMs)","Generic Transcription Pathway","Phase I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Sphingolipid metabolism","Biosynthesis of DHA-d
erived SPMs","Transcriptional Regulation by TP53","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Sphingolipid de novo biosynthesis","Biosynthesis of D-series resolvins","Regulation of TP53
 Activity","Regulation of TP53 Activity through Methylation",Disease,"Immune System","Neuronal System","Metabolism of amino acids and derivatives","Infectious disease","Innate Immune System","Transmis
sion across Chemical Synapses","Branched-chain amino acid catabolism","Leishmania infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and
 actions of bacterial toxins","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax tox
ins","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","ADORA2B mediated anti-inflammatory cytoki
nes production","MAP kinase activation","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PKD1}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{ID201175,638156-11-3,638156113,CID-2011756,CID2011756,"CID 2011756",5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide,5(3chlorophenyl)N(4(morpholinomethyl)phenyl)furan2carboxamide,
5-(3-chlorophenyl)-N-(4-(morpholin-4-ylmethyl)phenyl)furan-2-carboxamide,5(3chlorophenyl)N(4(morpholin4ylmethyl)phenyl)furan2carboxamide,MLS000557592,5-(3-Chlorophenyl)-N-(4-(morpholinometh,5(3Chlorop
henyl)N(4(morpholinometh,T1863}

> <pdid>
PD012863

> <targets>
{PKD}

> <classes>
{Apoptosis}

> <pubchem_cids>
{2011756}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    6.4434  -12.5363    0.0000 C   0  0
    5.7954  -11.1835    0.0000 N   0  0
    6.6430   -9.9459    0.0000 C   0  0
    5.9950   -8.5931    0.0000 C   0  0
    4.4994   -8.4778    0.0000 N   0  0
    3.6519   -9.7154    0.0000 C   0  0
    4.2999  -11.0683    0.0000 C   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -6.4915   -3.7597    0.0000 C   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.6961   -6.1265    0.0000 C   0  0
   -7.2254   -7.5507    0.0000 C   0  0
   -8.1009   -8.7687    0.0000 C   0  0
   -5.7254   -7.5431    0.0000 O   0  0
   -5.2691   -6.1142    0.0000 N   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 27  2  0
 25 33  1  0
 33 34  1  0
 34 22  1  0
 21 35  2  0
 35 16  1  0
 35 36  1  0
 36 14  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13152

> <plate>
PLATE 003

> <well>
A2

> <supplier_cmpd_name>
CCT137690

> <ctcr_id>
4339

> <supplier_cmpd_id>
T2611

> <smiles>
CN1CCN(CC1)c2ccc(cc2)c3nc4ncc(Br)c(N5CCN(Cc6cc(C)on6)CC5)c4[nH]3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AURKA,AURKB,AURKC}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{1095382-05-0,1095382050,CCT137690,"CCT 137690",CCT-137690,CHEMBL1236904,cc-66,cc66,C26H31BrN8O,MLS006010283,SCHEMBL4755249,AOB2477,DTXSID30648898,HMS3656D21,BCP02554,EX-A2038,EXA2038,BDBM50335609,s27
44,ZINC58661275,AKOS024458076,AKOS026750563,BCP9000498,CCG-270006,CCG270006,CS-0706,CS0706,T2611,S2744}

> <pdid>

> <targets>
{Aurora Kinase,Apoptosis}

> <classes>
{Cell Cycle,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{25154041}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
   20.7364    5.2377    0.0000 Cl  0  0
   21.3560    3.8717    0.0000 C   0  0
   22.8488    3.7253    0.0000 C   0  0
   23.4684    2.3592    0.0000 C   0  0
   22.5952    1.1396    0.0000 C   0  0
   21.1024    1.2859    0.0000 C   0  0
   20.2262    0.0674    0.0000 N   0  0
   18.7327    0.2160    0.0000 C   0  0
   18.1155    1.5831    0.0000 O   0  0
   17.8566   -1.0025    0.0000 N   0  0
   16.3657   -0.8542    0.0000 C   0  0
   15.3658   -1.9724    0.0000 S   0  0
   14.0123   -1.3561    0.0000 C   0  0
   12.7136   -2.1083    0.0000 C   0  0
   11.4123   -1.3606    0.0000 C   0  0
   10.1137   -2.1129    0.0000 N   0  0
    8.8124   -1.3651    0.0000 C   0  0
    8.8123    0.1349    0.0000 N   0  0
    7.5133    0.8849    0.0000 C   0  0
    6.2143    0.1349    0.0000 N   0  0
    6.2143   -1.3651    0.0000 C   0  0
    5.1000   -2.3681    0.0000 C   0  0
    5.7101   -3.7384    0.0000 C   0  0
    7.2019   -3.5816    0.0000 S   0  0
    7.5133   -2.1151    0.0000 C   0  0
   14.1450    0.1253    0.0000 C   0  0
   15.6111    0.4422    0.0000 N   0  0
   20.4828    2.6521    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 22  1  0
 30 26  2  0
 18 31  2  0
 31 32  1  0
 32 16  2  0
 11 33  2  0
 33  7  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13153

> <plate>
PLATE 003

> <well>
A3

> <supplier_cmpd_name>
SNS-314 Mesylate

> <ctcr_id>
5637

> <supplier_cmpd_id>
T2617

> <smiles>
C[S](O)(=O)=O.Clc1cccc(NC(=O)Nc2sc(CCNc3ncnc4ccsc34)cn2)c1

> <pd_targets>
{CSF1R,DDR2,NTRK1,NTRK2,AURKB,RAF1,FLT4,AURKA,AXL,KIT,CAMK2G,CDK8,PLK4,NTRK3,PDGFRB,SRPK1,MINK1,IRAK1,CAMK2B,HIPK4,SLK,PTK2,PRKCD,EPHA2,MELK,CAMK2D,CDK1,PRKD2,FRK,RPS6KB1,MKNK2,DYRK3,MAPK13,MET,ROCK2,
IRAK4,ROS1,CHEK2,CDK19,TYRO3,RET,CSNK1G2,BRSK1,MAP3K20,NEK4,KDR,CLK4,AURKC}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","STE protein kinase group","AG
C protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Trk family","Other protein kinase AUR family","T
KL protein kinase RAF family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Axl family","CAMK protein kinase CAMK2 family","CMGC protein kinase CDK family","Other protein kinase PLK 
family","CMGC protein kinase SRPK family","STE protein kinase STE20 family","TKL protein kinase IRAK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Fak family","AGC protein kinase 
PKC family","Tyrosine protein kinase Eph family","CAMK protein kinase CAMK1 family","CAMK protein kinase PKD family","Tyrosine protein kinase Src family","AGC protein kinase RSK family","CAMK protein 
kinase MAPKAPK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Met family","AGC protein kinase DMPK family","Tyrosine protein kinase Sev family","CAMK protein kinase RAD53 family","
Tyrosine protein kinase Ret family","CK1 protein kinase CK1 family","TKL protein kinase MLK family","Other protein kinase NEK family","CMGC protein kinase CLK family","CMGC protein kinase CDK8 subfami
ly","STE protein kinase MSN subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase SLK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase MELK subfamily","CMGC prote
in kinase CDC2 subfamily","AGC protein kinase p70 subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subf
amily","CAMK protein kinase BRSK subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","TK: Tyrosine kinase","Other protein kinases","TKL: Tyrosine kinase-like","CAMK2 fa
mily","Cyclin-dependent kinase (CDK) family","SRPK family","STE20 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Protein kinase C (PKC) family","CAMK-like (CAM
KL) family","Protein kinase D (PKD) family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","Casein kinase 1 (CK1) family"
,"CLK family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","RAF family","CDK8 subfamily","Polo-like kinase (PLK) family","MSN subfamily","Interleukin-1 receptor-associated kinase (I
RAK) family","HIPK subfamily","SLK subfamily","Non-receptor tyrosine kinases (nRTKs)","Delta subfamily","MELK subfamily","CDK1 subfamily","p70 subfamily","MKN subfamily","Dyrk2 subfamily","p38 subfami
ly","Rho kinase","CHK1 subfamily","BRSK subfamily","Mixed Lineage Kinase (MLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor fami
ly","Type XVI RTKs: DDR (collagen receptor) family","Type VII RTKs: Neurotrophin receptor/Trk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XI RTKs: TAM (TYRO
3-","AXL- and MER-TK) receptor family","Fak family","Type XIII RTKs: Ephrin receptor family","Src family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors",
"Type XIV RTKs: RET","MLK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Extracellular matrix organization","Signal Transduction","Cell Cycle",Disease,"Neuronal System","Cellular responses to external stimuli","Immune System","Developmen
tal Biology",Metabolism,"RNA Polymerase II Transcription","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases",Mitotic,"MAPK family signaling cascades","Diseases of signal
 transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","Intracellular signaling by second messengers","Cellular responses to stress","Innate Immune Sys
tem","Infectious disease","Nervous system development","Metabolism of lipids","MTOR signalling","Generic Transcription Pathway","Signaling by NTRKs","M Phase","MAPK1/MAPK3 signaling","Signaling by VEG
F","Signaling by KIT in disease","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NOTCH1 in Cancer","Mitotic G2-G2/M phases","PIP3 activates AKT signaling","Cellular Sen
escence","Toll-like Receptor Cascades","Leishmania infection","DAG and IP3 signaling","Axon guidance","Regulation of mitotic cell cycle","Sphingolipid metabolism","mTORC1-mediated signalling","Regulat
ion of lipid metabolism by PPARalpha","Transcriptional Regulation by VENTX","Signaling by NTRK1 (TRKA)","Mitotic Metaphase and Anaphase","RAF/MAP kinase cascade","VEGF ligand-receptor interactions","T
ranscriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","Activation of NMDA receptors and postsynaptic events","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer"
,"G2/M Transition","Signaling by NTRK3 (TRKC)","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senescence","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","CaM pathw
ay","EPH-Ephrin signaling","APC/C-mediated degradation of cell cycle proteins","Sphingolipid de novo biosynthesis","PTEN Regulation","Semaphorin interactions","Toll Like Receptor 2 (TLR2) Cascade","PP
ARA activates gene expression","RET signaling","Signalling to ERKs","Activation of TRKA receptors","Mitotic Anaphase","Negative regulation of MAPK pathway","VEGF binds to VEGFR leading to receptor dim
erization","Regulation of TP53 Activity","Dasatinib-resistant KIT mutants","Post NMDA receptor activation events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Centrosome maturation","Act
ivated NTRK3 signals through PI3K",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","Calmodulin induced events","EPHA-mediated gr
owth cone collapse","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of PTEN stability and activity","Sema4D in semaphorin signaling","Toll Like Receptor TLR6
:TLR2 Cascade","VEGFR2 mediated cell proliferation","Prolonged ERK activation events","NGF-independant TRKA activation","Separation of Sister Chromatids","Negative feedback regulation of MAPK pathway"
,"Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Loss of proteins required for interphase microtubule organiza
tion from the centrosome","MAP kinase activation","FCGR3A-mediated phagocytosis","APC/C:Cdc20 mediated degradation of mitotic proteins","Signalling to RAS","Sema4D mediated inhibition of cell attachme
nt and migration","Sema4D induced cell migration and growth-cone collapse","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Regulation of TP53 Expression and Degradation","ARMS-mediated activa
tion","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK activation","APC:Cdc20 mediated degradation of cell cycle protein
s prior to satisfation of the cell cycle checkpoint","p38MAPK events","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{AURKA,AURKB,AURKC}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{"SNS-314 Mesylate","SNS314 Mesylate",1146618-41-8,1146618418,UNII-KGW32FDY3U,UNIIKGW32FDY3U,"SNS 314 mesylate",KGW32FDY3U,"1146618-41-8 (mesylate)","1146618418 (mesylate)",cc-347,cc347,MLS006011040,C
19H19ClN6O4S3,CHEMBL518051,SCHEMBL17257952,DTXSID10648376,EX-A465,EXA465,HMS3654A12,BCP24792,s1154,AKOS015904656,T2617,S1154}

> <pdid>
PD005309

> <targets>
{"Aurora Kinases A",B,"& C",Aurora,"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{24995523}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    7.7905   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -1.3661   -6.1662    0.0000 O   0  0
    0.0736   -5.7424    0.0000 C   0  0
    1.1606   -6.7761    0.0000 F   0  0
    0.4258   -4.2843    0.0000 F   0  0
    1.5123   -5.3181    0.0000 F   0  0
   -2.0990   -3.6745    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 10  2  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 23 29  2  0
 29 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13154

> <plate>
PLATE 003

> <well>
A4

> <supplier_cmpd_name>
SGI-1776 free base

> <ctcr_id>
862

> <supplier_cmpd_id>
T3078

> <smiles>
CN1CCC(CC1)CNc2ccc3ncc(n3n2)c4cccc(OC(F)(F)F)c4

> <pd_targets>
{PIM2,PIM1,KCNH2,PIM3,YES1,FLT3,HASPIN}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CAMK protein kinase group","Voltage-gated potassium channel","TK protein kinase group","Other protein ki
nase group","CAMK protein kinase PIM family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Other protein kinase Haspin family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","Receptor kinases"
,"PIM family","Voltage-gated potassium channels","TK: Tyrosine kinase","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Haspin family","Src family","
Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,"Muscle contraction","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Cardiac conduction","Infectious disease","Signaling by Receptor 
Tyrosine Kinases","FLT3 signaling in disease","Phase 3 - rapid repolarisation","Leishmania infection","Signaling by Insulin receptor","Signaling by FLT3 ITD and TKD mutants","Leishmania parasite growt
h and survival","Insulin receptor signalling cascade","STAT5 activation downstream of FLT3 ITD mutants","Anti-inflammatory response favouring Leishmania parasite infection","IRS-mediated signalling","
FCGR3A-mediated IL10 synthesis","PI3K Cascade"}

> <broad_targets>
{FLT3,PIM1,PIM2,PIM3}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{SGI-1776,SGI1776,1025065-69-3,1025065693,"SGI-1776 free base","SGI1776 free base","SGI 1776",UNII-72AUA0603W,UNII72AUA0603W,CHEMBL1952329,72AUA0603W,CHEMBL1952141,"SGI 1776 free base",cc-574,cc574,ML
S006011076,SCHEMBL102498,GTPL8784,CHEBI:95061,AOB2259,DTXSID10647329,QCR-216,QCR216,HMS3655P08,HMS3672I15,HMS,T3078,S2198}

> <pdid>
PD010831

> <targets>
{Pim,Apoptosis,Autophagy}

> <classes>
{JAK/STAT,Apoptosis,Autophagy,JAK/STAT Signaling}

> <pubchem_cids>
{24795070}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    0.2974   -5.7184    0.0000 O   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5451   -7.0223    0.0000 C   0  0
    2.4994   -8.4432    0.0000 C   0  0
    3.7985   -7.6931    0.0000 C   0  0
    2.5497   -4.4224    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4915    3.7597    0.0000 O   0  0
    6.4870    5.2606    0.0000 C   0  0
    7.7840    6.0157    0.0000 C   0  0
    7.7817    7.5157    0.0000 C   0  0
    9.0795    8.2678    0.0000 C   0  0
   10.3797    7.5199    0.0000 C   0  0
   11.6783    8.2724    0.0000 C   0  0
   12.9761    9.0245    0.0000 N   0  0
   10.3822    6.0199    0.0000 N   0  0
    9.0843    5.2678    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  3  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  3  0
 20 23  1  0
 23 24  2  0
 24 17  1  0
 14 25  1  0
 25 26  2  0
 26 11  1  0
 10 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30  9  1  0
 30 31  2  0
 31  7  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13155

> <plate>
PLATE 003

> <well>
A5

> <supplier_cmpd_name>
GLPG0634 analogue

> <ctcr_id>
12309

> <supplier_cmpd_id>
T3076

> <smiles>
O=C(C1CC1)Nc1nn2c(c3ccc(OCc4ccc(C#N)nc4)cc3)cccc2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"GLPG0634 analog","GLPG0634 analogue",GLPG0634-analogue,GLPG0634analogue,SCHEMBL2237596,EX-A682,EXA682,BDBM294916,AOB87726,BCP07939,2431AH,MFCD26406012,s7137,ZINC68200690,AKOS027322791,CS-3293,CS3293
,NCGC00386400-04,NCGC0038640004,"US10112907, Example 00027",AC-30937,AC30937,HY-13961,HY13961,J-69,J69,T3076}

> <pdid>
PD099061

> <targets>
{JAK1,JAK2,JAK3}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{44602526}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    4.2146   -6.5095    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6590   -1.8298    0.0000 C   0  0
   -7.1272   -2.1369    0.0000 C   0  0
   -7.5954   -3.5619    0.0000 C   0  0
   -9.0636   -3.8690    0.0000 Cl  0  0
   -6.5954   -4.6799    0.0000 C   0  0
   -5.1271   -4.3729    0.0000 C   0  0
   -4.1271   -5.4909    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 28 29  1  0
 20 30  1  0
 30 16  1  0
 30 31  1  0
 31  6  2  0
  4 32  2  0
 32 33  1  0
 33  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13156

> <plate>
PLATE 003

> <well>
A6

> <supplier_cmpd_name>
Gandotinib

> <ctcr_id>
5527

> <supplier_cmpd_id>
T2638

> <smiles>
Cc1cc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)n[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GANDOTINIB,LY2784544,1229236-86-5,1229236865,"LY 2784544",LY-2784544,"Gandotinib (LY2784544)",UNII-ANC71R916O,UNIIANC71R916O,ANC71R916O,C23H25ClFN7O,"Gandotinib (USAN:INN)",LY2784544(Gandotinib),"Gan
dotinib (USAN)",cc-18,cc18,LY2784544;Gandotinib,Gandotinib(LY2784544),Gandot,T2638,S2179,Gandotinib}

> <pdid>

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{46213929}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    2.5795   -7.5040    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 O   0  0
   -1.2730   -8.2489    0.0000 C   0  0
   -1.2625   -9.7489    0.0000 C   0  0
    0.0417  -10.4898    0.0000 C   0  0
    1.3355   -9.7309    0.0000 C   0  0
    1.3251   -8.2309    0.0000 C   0  0
    0.0209   -7.4899    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17 11  1  0
 17 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
 24 32  1  0
 32 33  2  3
 33 21  1  0
 19 34  2  3
 34  9  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13157

> <plate>
PLATE 003

> <well>
A7

> <supplier_cmpd_name>
G-749

> <ctcr_id>
11448

> <supplier_cmpd_id>
T2620

> <smiles>
CN1CCC(CC1)NC1=NC2=C(C(=O)NC=C2Br)C(NC2=CC=C(OC3=CC=CC=C3)C=C2)=N1

> <pd_targets>
{MERTK,FLT3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,
Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction","Cell surface interactions at the vascular wall","Signaling by Receptor Tyrosine Kinases","Signaling by Insulin receptor","Insulin receptor signalling cascade","IRS-m
ediated signalling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{74,G-749,G749,1457983-28-6,1457983286,UNII-B06W426B66,UNIIB06W426B66,B06W426B66,C25H25BrN6O2,GTPL8108,CHEMBL4544478,SCHEMBL15265027,AOB87764,BCP11201,EX-A1074,EXA1074,2183AH,MFCD28167815,s7545,ZINC95
644293,AKOS026750566,CCG-269863,CCG269863,CS-3343,CS3343,NCGC00386412-04,NCGC0038641204,AC-33000,AC33000,BS-15433,BS15433,DA-33613,DA33613,HY-1,HY1,T2620}

> <pdid>
PD021556

> <targets>
{FLT3,"Aurora B",RET,"FLT3 (D835Y)",Mer}

> <classes>
{"Cell Cycle/Checkpoint",Angiogenesis,Apoptosis,"Tyrosine Kinase/Adaptors",Chromatin/Epigenetic}

> <pubchem_cids>
{78357765}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5447   -7.0216    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 N   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    6.4930    3.7570    0.0000 C   0  0
    7.8464    3.1403    0.0000 N   0  0
    8.8465    4.2582    0.0000 C   0  0
    8.0924    5.5549    0.0000 C   0  0
    9.5859    5.6940    0.0000 C   0  0
    7.1890    6.7523    0.0000 C   0  0
    6.6262    5.2383    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  4  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13158

> <plate>
PLATE 003

> <well>
A8

> <supplier_cmpd_name>
MI-2

> <ctcr_id>
8281

> <supplier_cmpd_id>
T2649

> <smiles>
CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(C)(C)S4

> <pd_targets>
{MEN1,KMT2A}

> <pathway_gtopdb>
{"Unclassified protein","Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","SMAD2/SMAD3:SMAD4 heterotrimer regula
tes transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{I,MI-2,MI2,1271738-62-5,1271738625,"Menin-MLL inhibitor MI-2","MeninMLL inhibitor MI2","MI-2 (Menin-MLL Inhibitor)","MI2 (MeninMLL Inhibitor)","Menin-MLL Inhibitor 2","MeninMLL Inhibitor 2","MI 2 (Me
nin-MLL Inhibitor)","MI 2 (MeninMLL Inhibitor)",CHEMBL3586089,"MI-2, Menin-MLL inhibitor 2","MI2, MeninMLL inhibitor 2",SCHEMBL12789963,AOB1818,DTXSID40716734,QCR-218,QCR218,CHEBI:124925,BDBM152235,BC
P11053,T2649,HY-15222,MI-2}

> <pdid>
PD003621

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{54765302}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 C   0  0
    1.2036    8.3653    0.0000 N   0  0
    0.7355    9.7904    0.0000 C   0  0
   -0.7644    9.7856    0.0000 C   0  0
   -0.1382   11.1487    0.0000 C   0  0
   -2.2532    9.6020    0.0000 C   0  0
   -1.2234    8.3576    0.0000 S   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 10 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 13  1  0
  6 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  2  0
 25  4  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13159

> <plate>
PLATE 003

> <well>
A9

> <supplier_cmpd_name>
MI-3

> <ctcr_id>
11950

> <supplier_cmpd_id>
T2643

> <smiles>
CC(C)c1nc(N2CCN(CC2)C2=NCC(C)(C)S2)c2ccsc2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{I,"Menin-MLL inhibitor 3","MeninMLL inhibitor 3",3846AH,ZINC95080576,AKOS026750578,DA-46476,DA46476,FT-0756844,FT0756844,W-6013,W6013,T2643,MI-3}

> <pdid>
PD056145

> <targets>
{Menin-MLL,Apoptosis,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Apoptosis,Epigenetics}

> <pubchem_cids>
{71651135}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 O   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4458   -1.8433    0.0000 N   0  0
    7.5066   -2.8789    0.0000 C   0  0
    8.8261   -2.1656    0.0000 C   0  0
    8.5555   -0.6902    0.0000 N   0  0
    7.0687   -0.4917    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  7  1  0
  3 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13160

> <plate>
PLATE 003

> <well>
A10

> <supplier_cmpd_name>
Molidustat

> <ctcr_id>
12681

> <supplier_cmpd_id>
T2652

> <smiles>
O=c1n([nH]cc1n1ccnn1)c1cc(ncn1)N1CCOCC1

> <pd_targets>
{EGLN3,EGLN1,EGLN2,HIF1AN,A085R}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{EGLN2}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{Molidustat,1154028-82-6,1154028826,"BAY 85-3934","BAY 853934","Molidustat (BAY85-3934)","Molidustat (BAY853934)",BAY85-3934,BAY853934,UNII-9JH486CZ13,UNII9JH486CZ13,"Molidustat(BAY 85-3934)","Molidus
tat(BAY 853934)",9JH486CZ13,2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one,2(6morpholin4ylpyrimidin4yl)4(triazol1yl)1Hpyrazol3one,2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2(6morph
olin4ylpyrimidin4yl)4(1,2,3-tr,3tr,T2652}

> <pdid>
PD012827

> <targets>
{PHD1,PHD2,PHD3,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Metabolism,Chromatin/Epigenetic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{59603622}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 N   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -6.4667   -5.2605    0.0000 N   0  0
   -7.7607   -6.0192    0.0000 C   0  0
   -7.7507   -7.5192    0.0000 C   0  0
   -6.4467   -8.2605    0.0000 O   0  0
   -5.1527   -7.5019    0.0000 C   0  0
   -5.1627   -6.0019    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 14 28  2  0
 28 10  1  0
  2 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 29  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13161

> <plate>
PLATE 003

> <well>
A11

> <supplier_cmpd_name>
XL019

> <ctcr_id>
2143

> <supplier_cmpd_id>
T3072

> <smiles>
O=C(Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2)C5CCCN5

> <pd_targets>
{JAK3,JAK2,JAK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Interferon Signaling","Interleukin-2 family signaling","
G1 Phase","Antiviral mechanism by IFN-stimulated genes","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{XL-019,XL019,945750-13-0,945750130,SCHEMBL4379072,CHEMBL3545328,HMS3652B18,HMS3673G21,BCP07987,BCP29586,NSC772887,"XL019;XL 019",AKOS026750648,ACN-029574,ACN029574,NSC-772887,NCGC00389508-02,NCGC0038
950802,AK313372,DA-40240,DA40240,AB0213799,FT-0773898,FT0773898,T3072,S7036}

> <pdid>
PD010645

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{57990770}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 O   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
  9 18  2  0
 18  5  1  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13162

> <plate>
PLATE 003

> <well>
B2

> <supplier_cmpd_name>
WHI-P131

> <ctcr_id>
6128

> <supplier_cmpd_id>
T2045

> <smiles>
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC

> <pd_targets>
{RET,LCK,ALK,EGFR,KDR,JAK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","TKL protein kinase STKR family","Tyrosin
e protein kinase EGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XIV RTKs: RET","Src family","Type XIX RTKs: L
eukocyte tyrosine kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Janus kinase (J
akA) family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Signal Transduction","Immune System","Nervous system development","Infectious disease","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cytokine Signalin
g in Immune system","Axon guidance","HIV Infection","GPCR downstream signalling","Signaling by VEGF","Signaling by Interleukins","RET signaling","Host Interactions of HIV factors","G alpha (q) signall
ing events","VEGFA-VEGFR2 Pathway","Interleukin-2 family signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated 
cell proliferation","Interleukin-15 signaling","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","EGFR Transactivation by Gastrin","Nef Mediated CD4 Down
-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"HIP131 (JAK3 INHIBITOR 1",JANEX-1,JANEX1,202475-60-3,202475603,WHI-P131,WHIP131,"jak3 inhibitor i","4-(6,7-dimethoxyquinazolin-4-ylamino)phenol","4(6,7dimethoxyquinazolin4ylamino)phenol","4-((6,7-di
methoxyquinazolin-4-yl)amino)phenol","4((6,7dimethoxyquinazolin4yl)amino)phenol","Janex 1",CHEMBL405130,"4-((6,7-dimethoxy-4-quinazolinyl)amino)-phenol","4((6,7dimethoxy4quinazolinyl)amino)phenol",Phe
nol,4-,4,T2045,SY-WHI-P131,"WHI-P131 (JAK3 Inhibitor 1)"}

> <pdid>
PD012567

> <targets>
{JAK3,JAK}

> <classes>
{Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{3794}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    6.4894   -3.7601    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7648    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -4.0450    5.2297    0.0000 C   0  0
   -5.5133    5.5365    0.0000 C   0  0
   -6.1303    6.9018    0.0000 C   0  0
   -7.6237    7.0513    0.0000 C   0  0
   -8.4990    5.8332    0.0000 O   0  0
   -8.2418    8.4190    0.0000 N   0  0
   -9.7351    8.5685    0.0000 C   0  0
  -10.3548    9.9345    0.0000 C   0  0
  -11.8477   10.0809    0.0000 C   0  0
  -12.7209    8.8613    0.0000 C   0  0
  -12.1013    7.4953    0.0000 C   0  0
  -12.9745    6.2756    0.0000 F   0  0
  -10.6084    7.3488    0.0000 C   0  0
   -6.2588    4.2348    0.0000 N   0  0
   -5.2512    3.1236    0.0000 N   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 24  1  0
 19 31  1  0
 31 32  1  0
 32 17  2  0
 15 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 14  1  0
 36 37  2  0
 37 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13163

> <plate>
PLATE 003

> <well>
B3

> <supplier_cmpd_name>
Barasertib

> <ctcr_id>
5723

> <supplier_cmpd_id>
T2602

> <smiles>
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1

> <pd_targets>
{MAP2K2,ABL1,KIT,RET,FLT1,CHEK2,ERBB4,CDK13,EGFR,LYN,CDK16,KDR,AURKA,FLT3,MAP3K20,CDK11B,MUSK,IRAK3,SRMS,STK36,AURKB,AURKC,AXL,BLK,ERBB2,LTK,PAK1,LCK,PDGFRB,RPS6KB1,CDK11A,PDGFRA,TEK,CIT,AAK1,YES1,MAP
3K7,BTK,TNIK,PLK4,HCK,RIPK2,DSTYK,CSK,FLT4,MET,MKNK2,TTK,CSF1R,CDK7,MAP2K1,ANKK1,STK10,CDKL2,HIPK3,EIF2AK1,HIPK2,TIE1,MAP4K4,MAP4K5,MAP3K19,DDR1,HIPK4,TUBA1A,EPHB6,MAP4K2,MAP2K5,CSNK1D,DDR2,MST1R,ZAP7
0}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein",Kinase,"Protein Kinase","STE protein kinase group","TK protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Other protein 
kinase group","TKL protein kinase group","AGC protein kinase group","CK1 protein kinase group","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR fami
ly","Tyrosine protein kinase Ret family","Tyrosine protein kinase VEGFR family","CAMK protein kinase RAD53 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","CMGC prot
ein kinase CDK family","Other protein kinase AUR family","TKL protein kinase MLK family","Tyrosine protein kinase Musk family","TKL protein kinase IRAK family","Other protein kinase ULK family","Tyros
ine protein kinase Axl family","Tyrosine protein kinase Alk family","STE protein kinase STE20 family","AGC protein kinase RSK family","Tyrosine protein kinase Tie family","AGC protein kinase DMPK fami
ly","Other protein kinase NAK family","Tyrosine protein kinase Tec family","Other protein kinase PLK family","TKL protein kinase RIPK family","Tyrosine protein kinase Csk family","Tyrosine protein kin
ase Met family","CAMK protein kinase MAPKAPK family","Other protein kinase TTK family","CMGC protein kinase CDKL family","CMGC protein kinase DYRK family","Other protein kinase PEK family","STE protei
n kinase STE11 family","Tyrosine protein kinase DDR family","CK1 protein kinase CK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase TAIRE subfamily","TKL protein kinase MLK subfamily
","CMGC protein kinase PITSLRE subfamily","Tyrosine protein kinase Srm","STE protein kinase PAKA subfamily","AGC protein kinase p70 subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase T
AK1 subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase HIPK subfamily","Othe
r protein kinase HRI","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors",Tubulins,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","CAMK: Calcium/
calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","STE7 family","TK: Tyrosine kinase","CAMK-like (CA
MKL) family","Cyclin-dependent kinase (CDK) family","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","RSK family","DMPK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Cycl
in-dependent kinase-like (CDKL) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Non-receptor tyrosine kinases (nRTKs)","Receptor 
tyrosine kinases (RTKs)","CHK1 subfamily","CRK7 subfamily","TAIRE subfamily","Aurora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","PITSLRE subfamily","Interleukin-1 receptor-associated kin
ase (IRAK) family","Unc-51-like kinase (ULK) family","PAKA subfamily","p70 subfamily","Other DMPK family kinases","NAK family","MSN subfamily","Polo-like kinase (PLK) family","Receptor interacting pro
tein kinase (RIPK) family","Other-unique family","MKN subfamily","TTK family","CDK7 subfamily","SLK subfamily","HIPK subfamily","PEK family","KHS subfamily","STE20 subfamily","Abl family","Type III RT
Ks: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family",
"Src family","MLK subfamily","Type IX RTKs: MuSK","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XII RTKs: TIE fa
mily of angiopoietin receptors","TAK1 subfamily","Tec family","Csk family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Other PEK family kinases","Type XVI RTKs: DDR (collagen recept
or) family","Type XIII RTKs: Ephrin receptor family","Syk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Gene expression (Transcription)","Neuronal System","Cell Cycle","Extracellular matrix organization","Immune System","Vesicle-mediated transport"
,"Cellular responses to external stimuli","Signaling by Receptor Tyrosine Kinases","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Nervous syst
em development","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Signaling by GPCR",Mitotic,"ECM proteoglycans","Innate Immune System","Signaling by Non-Receptor Tyrosine Kin
ases","Intracellular signaling by second messengers","MTOR signalling","MAPK family signaling cascades","Signaling by Rho GTPases","Membrane Trafficking","Cellular responses to stress","Non-integrin m
embrane-ECM interactions","Adaptive Immune System","Signaling by NTRKs","Leishmania infection","Signaling by KIT in disease","Axon guidance","Signaling by VEGF","Generic Transcription Pathway","Neurot
ransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Signaling by Insulin receptor","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by PTK6","M Ph
ase","HIV Infection","PIP3 activates AKT signaling","mTORC1-mediated signalling","Signaling by PDGFR in disease","MAPK1/MAPK3 signaling","RHO GTPase Effectors","Clathrin-mediated endocytosis","Cellula
r Senescence","Oncogenic MAPK signaling","Neutrophil degranulation","Response of EIF2AK1 (HRI) to heme deficiency","Signaling by MST1","TCR signaling","Signaling by NTRK1 (TRKA)","Parasite infection",
"Drug resistance of KIT mutants","RET signaling","VEGF ligand-receptor interactions","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","G alpha (q) signalling
 events","Leishmania parasite growth and survival","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","G2/M Transition","Toll Like Receptor 2 (TLR2) Cascade","PTK6 Down-Regulation","Mitotic 
Metaphase and Anaphase","Transcriptional regulation by RUNX1","Semaphorin interactions","EPH-Ephrin signaling","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Drug re
sistance of PDGFR mutants","RAF/MAP kinase cascade","RHO GTPases activate CIT","Cargo recognition for clathrin-mediated endocytosis","Toll Like Receptor 4 (TLR4) Cascade","Oxidative Stress Induced Sen
escence","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Transcriptional Regulation by VENTX","HIV Life Cycle","Generation of second messenger molecules","Signalling to ERKs","Leishm
ania phagocytosis","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activity","Post NMDA receptor activation events","TP53 Regulates Transcr
iption of DNA Repair Genes","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","IRS-mediated s
ignalling","Centrosome maturation","Toll Like Receptor TLR6:TLR2 Cascade","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Sema4D in semaphorin signaling","EPHB-m
ediated forward signaling","The role of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","MyD88-independent TLR4 c
ascade","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS mutants","Late Phase of HIV Life Cycle","Signalling to ERK5","Prolonged ERK activation events","FCGR3A-mediated phagoc
ytosis","Regulation of TP53 Expression and Degradation","Long-term potentiation","EGFR Transactivation by Gastrin","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Activity through Phosphorylation
","PI3K Cascade","Recruitment of mitotic centrosome proteins and complexes","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Separation of Sister Chromatids","Sema4D induced cell migration and
 growth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase
 microtubule organization from the centrosome","Nef and signal transduction","MAP kinase activation","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Fr
s2-mediated activation","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Loss of Nlp from mitotic centrosomes","activ
ated TAK1 mediates p38 MAPK activation","HIV Transcription Elongation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC799356,s1147,ZINC16697102,AKOS025404840,BDBM50466808,MFCD10687152,NSC757444,722544-51-6,722544516,AZD1152-HQPA,AZD1152HQPA,AZD-1152HQPA,"Barasertib (AZD1152-HQPA)","Barasertib (AZD1152HQPA)",baras
ertib-hQPA,barasertibhQPA,UNII-29P8LWS24N,UNII29P8LWS24N,AZD-1152-HQPA,"INH 34","AZD1152 HPQA",29P8LWS24N,CHEMBL215152,INH-34,INH34,Bar,T2602,S1147,Barasertib,barasertib,AZD1152-HQPA(Barasertib)}

> <pdid>
PD003227

> <targets>
{Aurora B,Aurora,Aurora Kinase,Apoptosis}

> <classes>
{Cell Cycle,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{16007391}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 40  0  0  0  0            999 V2000
   13.8990    3.0769    0.0000 O   0  0
   11.3990    3.0769    0.0000 Cl  0  0
    8.8990    3.0769    0.0000 Cl  0  0
    6.3990    3.0769    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 N   0  0
   -9.0866    3.7711    0.0000 C   0  0
   -9.0793    5.2719    0.0000 C   0  0
  -10.3731    6.0309    0.0000 C   0  0
  -10.3628    7.5309    0.0000 C   0  0
   -9.0586    8.2719    0.0000 C   0  0
   -7.7647    7.5130    0.0000 C   0  0
   -7.7751    6.0130    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.2991    5.2507    0.0000 N   0  0
    0.0513    5.9204    0.0000 C   0  0
    0.3828    7.3833    0.0000 C   0  0
   -0.5543    8.5546    0.0000 C   0  0
   -2.0543    8.5522    0.0000 N   0  0
   -2.7073    9.9026    0.0000 C   0  0
   -2.9877    7.3779    0.0000 C   0  0
   -2.6516    5.9161    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 18 26  1  0
 26 27  1  0
 27 15  1  0
 13 28  2  0
 28  9  1  0
 28 29  1  0
 29 30  2  0
 30  7  1  0
 30 31  1  0
 31 32  1  0
 11 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 33  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13164

> <plate>
PLATE 003

> <well>
B4

> <supplier_cmpd_name>
BIX 01294 Trihydrochloride

> <ctcr_id>
8246

> <supplier_cmpd_id>
T1959

> <smiles>
O.Cl.Cl.Cl.COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N5CCCN(C)CC5

> <pd_targets>
{EHMT2,EHMT1,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Writer,Kinase,"Protein methyltransferase","Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"
}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","2.1.1.43 Histone methyltransferases (HMTs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{BIX01294,"BIX 01294 trihydrochloride hydrate",1808255-64-2,1808255642,"BIX01294 free base","BIX01294 3HCl",EX-A582,EXA582,C28H38N6O2.3ClH.H2O,C28H38N6O2.3HCl.H2O,1328AH,2144AH,AKOS032960432,ACN-05090
4,ACN050904,CCG-208677,CCG208677,J-506427,J506427,T1959,13124,"BIX 01294 Trihydrochloride","BIX01294(hydrochloride hydrate)"}

> <pdid>
PD003481

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{73357457}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    5.1009    2.6017    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0102   -7.5017    0.0000 C   0  0
    1.3123   -8.2482    0.0000 N   0  0
    1.3199   -9.7482    0.0000 C   0  0
    2.6227  -10.4916    0.0000 C   0  0
    3.9180   -9.7351    0.0000 S   0  0
    3.8901  -11.2348    0.0000 O   0  0
    5.1951   -8.9483    0.0000 O   0  0
    3.9104   -8.2351    0.0000 C   0  0
    2.6076   -7.4917    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    7.3541    1.3071    0.0000 C   0  0
    8.5617    2.0571    0.0000 C   0  0
    8.5617    0.5571    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  1  0
 24 17  1  0
 15 25  1  0
 25 26  2  0
 26 12  1  0
  7 27  2  0
 27  4  1  0
  2 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13165

> <plate>
PLATE 003

> <well>
B5

> <supplier_cmpd_name>
Filgotinib

> <ctcr_id>
11530

> <supplier_cmpd_id>
T1929

> <smiles>
O=C(Nc1nn2c(cccc2c2ccc(CN3CCS(=O)(=O)CC3)cc2)n1)C1CC1

> <pd_targets>
{JAK1,GSC2,JAK2,TYK2,FLT4,CSF1R,JAK3,FLT3,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TK protein kinase group","Voltage-gated potassium channel","Tyrosine 
protein kinase JakA family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Ion channels","Catalytic receptors","Voltage-gated ion channels","Receptor kinases","Potassium channels","TK: Tyrosine kinase","Voltage-gated potassium channels","Non-receptor tyrosine kin
ases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor f
amily"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Gene expression (Transcription)","Muscle contraction","Cytokine Signaling in Immune system",Mitotic,"Signaling by Receptor Tyrosine Kinases","RNA P
olymerase II Transcription","Cardiac conduction","Interferon Signaling","Mitotic G1 phase and G1/S transition","Signaling by VEGF","Generic Transcription Pathway","Signaling by Interleukins","Signalin
g by Insulin receptor","Phase 3 - rapid repolarisation","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","VEGF ligand-receptor interactions","Transcriptional 
Regulation by VENTX","Interleukin-2 family signaling","Insulin receptor signalling cascade","ISG15 antiviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","VEGF binds to
 VEGFR leading to receptor dimerization","Interleukin-15 signaling","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{JAK1,JAK2,JAK3,TYK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{SCHEMBL253559,"Filgotinib pound GLPG0643)","GS-6034 FREE BASE","GS6034 FREE BASE",1206101-20-3,1206101203,Filgotinib,GLPG0634,1206161-97-8,1206161978,GLPG-0634,UNII-3XVL385Q0M,UNII3XVL385Q0M,GPLG0634
,Filgotinib(GLPG0634),3XVL385Q0M,G146034,"Filgotinib (GLPG0634)","Filgotinib (USAN:INN)",Jyseleca,GL,T1929}

> <pdid>
PD010273

> <targets>
{JAK,JAK1,JAK2,JAK3,Tyk2}

> <classes>
{Angiogenesis,"Tyrosine Kinase/Adaptors",Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{49831257}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 45  0  0  0  0            999 V2000
   10.3884    1.5226    0.0000 C   0  0
    9.0919    0.7681    0.0000 C   0  0
    9.0971   -0.7319    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -5.0460   -2.3579    0.0000 C   0  0
   -6.2823   -1.5085    0.0000 C   0  0
   -5.8565   -0.0702    0.0000 C   0  0
   -4.3570   -0.0307    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0103    7.5017    0.0000 C   0  0
   -1.3123    8.2482    0.0000 N   0  0
   -1.3199    9.7482    0.0000 C   0  0
   -2.6228   10.4916    0.0000 C   0  0
   -3.9180    9.7351    0.0000 O   0  0
   -3.9104    8.2351    0.0000 C   0  0
   -2.6076    7.4917    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    6.4939    0.7591    0.0000 C   0  0
    5.1923    1.5046    0.0000 O   0  0
    7.7903    1.5136    0.0000 N   0  0
    7.8059   -2.9864    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
 12 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 27 35  1  0
 35 36  2  0
 36 24  1  0
  5 37  1  0
 37 38  2  0
 37 39  1  0
 39  2  1  0
  4 40  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13166

> <plate>
PLATE 003

> <well>
B6

> <supplier_cmpd_name>
EPZ005687

> <ctcr_id>
5570

> <supplier_cmpd_id>
T1905

> <smiles>
CC1=CC(=C(CNC(=O)c2cc(cc3c2cnn3C4CCCC4)c5ccc(CN6CCOCC6)cc5)C(=O)N1)C

> <pd_targets>
{EZH2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{EPZ005687,1396772-26-1,1396772261,EPZ-005687,"EPZ 005687",UNII-GQ4LD5KG1E,UNIIGQ4LD5KG1E,GQ4LD5KG1E,"EZH2 Inhibitor, EPZ005687",GTPL8387,SCHEMBL12684069,AOB1761,DTXSID80733849,EX-A429,EXA429,CHEBI:12
4922,"EPZ 5687 (WHO-DD)","EPZ 5687 (WHODD)",C32H37N5O3,BCP07899,"EPZ 5687",EPZ-5687,EPZ5687,2398AH,MFCD2537202,T1905,S7004}

> <pdid>
PD013383

> <targets>
{"Histone Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{60160561}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    8.1165    0.8254    0.0000 C   0  0
    6.6534    1.1562    0.0000 C   0  0
    5.6342    0.0546    0.0000 N   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.0000    3.2293    0.0000 C   0  0
    1.3386    3.9148    0.0000 C   0  0
    1.4153    5.4128    0.0000 C   0  0
    0.1563    6.2283    0.0000 C   0  0
    0.2330    7.7263    0.0000 Cl  0  0
   -1.1794    5.5457    0.0000 C   0  0
   -1.2561    4.0476    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.9879    2.6747    0.0000 O   0  0
   -6.4206    2.2305    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.2135   -2.9844    0.0000 C   0  0
   -2.6401   -3.4480    0.0000 C   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  9 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  2  0
 24 17  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  2  0
 30  7  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13167

> <plate>
PLATE 003

> <well>
B7

> <supplier_cmpd_name>
Molibresib

> <ctcr_id>
3746

> <supplier_cmpd_id>
T1906

> <smiles>
CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14

> <pd_targets>
{BRD3,BRD4,BRD2,BRDT}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al regulation by RUNX3","RUNX3 regulates p14-ARF"}

> <broad_targets>
{BRD2,BRD3,BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{GSK525762,1260530-43-5,1260530435,SCHEMBL12671490,HMS3426I13,HMS3653M15,GSK-525768A,GSK525768A,AKOS026750255,NCGC00387846-03,NCGC0038784603,AK174790,DA-33590,DA33590,CS-0007076,CS0007076,FT-0700437,F
T0700437,T1906,S7189,Molibresib,I-BET-762}

> <pdid>
PD003552

> <targets>
{"Epigenetic Reader Domain"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{52934829}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    2.5973   -7.5101    0.0000 C   0  0
    2.5952   -6.0101    0.0000 O   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 15  1  0
 22 23  2  0
 23 12  1  0
 13 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13168

> <plate>
PLATE 003

> <well>
B8

> <supplier_cmpd_name>
GSK 5959

> <ctcr_id>
11458

> <supplier_cmpd_id>
T1972

> <smiles>
COc1ccccc1C(=O)Nc1c(cc2n(C)c(=O)n(C)c2c1)N1CCCCC1

> <pd_targets>
{BRD4,TAF1,BRPF1,BRD1,BRPF3,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Bromodomain,"Methyl-lysine/arginine binding protein","PWWP domain","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family","TAF1 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","HIV Infection","Generic Transcription Pathway","Potential therapeutics for SARS
","HIV Life Cycle","Transcriptional Regulation by TP53","Late Phase of HIV Life Cycle","Regulation of TP53 Activity","Transcription of the HIV genome","Regulation of TP53 Activity through Acetylation"
,"HIV Transcription Initiation","Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynapt
ic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{BRPF1}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{901245-65-6,901245656,GSK-5959,GSK5959,"GSK 5959","compound 3 (PMID: 25408830)",CHEMBL1522313,"N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide","N(1,3dimethyl2oxo6piperidi
n1ylbenzimidazol5yl)2methoxybenzamide","CID 15990224",4uye,GTPL7811,HMS1821D17,BCP16039,EX-A2263,EXA2263,ZINC8594565,BDBM50032912,T1972}

> <pdid>
PD012425

> <targets>
{BRPF1,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{15990224}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5973   -7.5101    0.0000 C   0  0
    2.5952   -6.0101    0.0000 O   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9530    1.9978    0.0000 C   0  0
    4.2010    3.2957    0.0000 C   0  0
    2.7342    2.9815    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 15  1  0
 22 23  2  0
 23 12  1  0
 13 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13169

> <plate>
PLATE 003

> <well>
B9

> <supplier_cmpd_name>
PFI-4

> <ctcr_id>
11459

> <supplier_cmpd_id>
T1973

> <smiles>
COc1ccccc1C(=O)Nc1c(cc2n(C)c(=O)n(C)c2c1)N1CCCC1

> <pd_targets>
{BRD4,TAF1,BRPF1,BRD1,BRPF3,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Bromodomain,"Methyl-lysine/arginine binding protein","PWWP domain","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family","TAF1 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","HIV Infection","Generic Transcription Pathway","Potential therapeutics for SARS
","HIV Life Cycle","Transcriptional Regulation by TP53","Late Phase of HIV Life Cycle","Regulation of TP53 Activity","Transcription of the HIV genome","Regulation of TP53 Activity through Acetylation"
,"HIV Transcription Initiation","Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynapt
ic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{BRPF1}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{PFI-4,PFI4,900305-37-5,900305375,"PFI 4",CHEMBL3356143,GTPL8575,EX-A823,EXA823,BCP23818,ZINC6794685,BDBM50032927,MFCD14744412,s7906,STL436496,AKOS000482438,CCG-268406,CCG268406,CS-4866,CS4866,MCULE-9
591292886,MCULE9591292886,"PFI-4, >=98 (HPLC)","PFI4, >=98 (HPLC)",NCGC00476204-01,NCGC0047620401,AK316825,AS-55836,AS55836,BP-25373,BP25373,HY-18664,HY18664,FT-070,FT070,T1973}

> <pdid>
PD000017

> <targets>
{BRPF1,BRPF2,BRPF3}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{40642506}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 N   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -5.1009   -2.6017    0.0000 O   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1041   -2.6061    0.0000 C   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
   -9.6042   -0.0081    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5937    4.6845    0.0000 C   0  0
   -7.0620    6.1095    0.0000 C   0  0
   -8.5303    6.4166    0.0000 C   0  0
   -9.5303    5.2986    0.0000 C   0  0
   -9.0621    3.8735    0.0000 C   0  0
   -7.5939    3.5665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 12 22  1  0
 22  8  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13170

> <plate>
PLATE 003

> <well>
B10

> <supplier_cmpd_name>
BRD4770

> <ctcr_id>
8287

> <supplier_cmpd_id>
T1923

> <smiles>
COC(=O)c1ccc2c(c1)nc(NC(=O)c3ccccc3)n2CCCc4ccccc4

> <pd_targets>
{EHMT2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{BRD4770,1374601-40-7,1374601407,"Methyl 2-benzamido-1-(3-phenylpropyl)-1H-benzo(d)imidazole-5-carboxylate","Methyl 2benzamido1(3phenylpropyl)1Hbenzo(d)imidazole5carboxylate","BRD 4770",BRD-4770,"meth
yl 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylate","methyl 2benzamido1(3phenylpropyl)benzimidazole5carboxylate",C25H23N3O3,GTPL7016,AOB3886,CHEMBL3970748,SCHEMBL16569005,EX-A69,EXA69,T1923,
S7591,BRD4770}

> <pdid>
PD003347

> <targets>
{Histone Methyltransferase}

> <classes>
{Epigenetics}

> <pubchem_cids>
{72193870}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2941   -3.7521    0.0000 C   0  0
   -0.0063   -4.4998    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
  6 15  1  0
 15 16  3  0
  2 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13171

> <plate>
PLATE 003

> <well>
B11

> <supplier_cmpd_name>
WP1066

> <ctcr_id>
3556

> <supplier_cmpd_id>
T2156

> <smiles>
CC(NC(=O)C(=Cc1cccc(Br)n1)C#N)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{STAT3}

> <broad_moa>
{"STAT inhibitor"}

> <synonyms>
{HMS3656L10,AKOS026750371,AK-99218,AK99218,"AK 99218",DA-41141,DA41141,"DA 41141",FT-0700378,FT0700378,"FT 0700378",S2796,WP1066}

> <pdid>
PD010567

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{72752238}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2044    2.9940    0.0000 C   0  0
   -6.5039    3.7432    0.0000 C   0  0
   -6.5049    5.2432    0.0000 C   0  0
   -5.2063    5.9941    0.0000 C   0  0
   -3.9068    5.2450    0.0000 C   0  0
   -3.9058    3.7450    0.0000 C   0  0
   -6.4982    0.7397    0.0000 C   0  0
   -7.8002    1.4848    0.0000 C   0  0
   -9.0964    0.7299    0.0000 C   0  0
   -9.0908   -0.7700    0.0000 C   0  0
   -7.7889   -1.5152    0.0000 C   0  0
   -6.4927   -0.7603    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13172

> <plate>
PLATE 003

> <well>
C2

> <supplier_cmpd_name>
JIB-04

> <ctcr_id>
7621

> <supplier_cmpd_id>
T1868

> <smiles>
Clc1ccc(N\N=C(c2ccccc2)\c3ccccn3)nc1

> <pd_targets>
{KDM4C,KDM6B,KDM4E,KDM5A}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Signal Transduction","Cellular responses to external stimuli","Chromatin organization","Signaling by Rho GTPases","Cellular responses to stress","Chromatin modifying enzymes","RHO GTPase Effectors",
"Cellular Senescence","HDMs demethylate histones","RHO GTPases activate PKNs","Oxidative Stress Induced Senescence","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes K
LK2 and KLK3"}

> <broad_targets>
{KDM4E}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{JIB-04,JIB04,199596-05-9,199596059,"JIB 04","JIB-04 Z-isomer","JIB04 Zisomer",(E)-5-chloro-2-(2-(phenyl(pyridin-2-yl)methylene)hydrazinyl)pyridine,(E)5chloro2(2(phenyl(pyridin2yl)methylene)hydrazinyl
)pyridine,NSC693627,"JIB-04, NSC 693627","JIB04, NSC 693627",C17H13ClN4,199596-24-2,199596242,CHEMBL1982368,"Jib-04 (nsc 693627) -z","Jib04 (nsc 693627) z",NSC-693627,(Z)-1-(5-chloropyridin-2-yl)-2,(Z
)1(5chloropyridin2yl)2,S7281}

> <pdid>
PD012660

> <targets>
{"Histone demethylases"}

> <classes>
{}

> <pubchem_cids>
{6519698}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 N   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -5.1009   -2.6017    0.0000 O   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.5617   -2.0571    0.0000 C   0  0
   -8.5617   -0.5571    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    0.0000   -4.5008    0.0000 N   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 N   0  0
    3.8787    3.7539    0.0000 C   0  0
    2.5835    2.9972    0.0000 O   0  0
    3.8704    5.2547    0.0000 C   0  0
    2.5670    5.9988    0.0000 C   0  0
    2.5565    7.4988    0.0000 C   0  0
    1.2523    8.2398    0.0000 C   0  0
   -0.0415    7.4808    0.0000 C   0  0
   -0.0311    5.9809    0.0000 C   0  0
    1.2731    5.2399    0.0000 C   0  0
   -1.3257    5.2215    0.0000 C   0  0
   -2.6303    5.9616    0.0000 F   0  0
   -1.3148    3.7215    0.0000 F   0  0
   -2.6191    4.4619    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 16  1  0
 12 19  1  0
 19 20  1  0
 20 10  1  0
 20 21  2  0
 21  7  1  0
 21 22  1  0
 22 23  3  0
  5 24  1  0
 24 25  2  0
 25  2  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13173

> <plate>
PLATE 003

> <well>
C3

> <supplier_cmpd_name>
TAK632

> <ctcr_id>
4647

> <supplier_cmpd_id>
T1886

> <smiles>
Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc5cccc(c5)C(F)(F)F

> <pd_targets>
{TEK,PDGFB,AURKB,MAPK14,CCNB1,CDK1,PDGFRB,RIPK1,BRAF,RAF1,CHEK1,IKBKB,FGFR3,RIPK3,PDGFA,CCNA2,CDK2,KDR,GSK3B,MAP2K1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","TKL protein kinase group","CAMK protein kinase group","STE protei
n kinase group","Tyrosine protein kinase Tie family","Other protein kinase AUR family","CMGC protein kinase MAPK family","CMGC protein kinase CDK family","Tyrosine protein kinase PDGFR family","TKL pr
otein kinase RIPK family","TKL protein kinase RAF family","CAMK protein kinase CAMK1 family","Other protein kinase IKK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR fami
ly","CMGC protein kinase GSK family","STE protein kinase STE7 family","CMGC protein kinase p38 subfamily","CMGC protein kinase CDC2 subfamily","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","CAMK-like (CAMKL) fami
ly","Glycogen synthase kinase (GSK) family","STE7 family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","p38 subfamily","Receptor interacting protein kinase (RIPK) family","RAF famil
y","CHK1 subfamily","IKK family","GSK subfamily","Type XII RTKs: TIE family of angiopoietin receptors","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type V RTKs: FGF (fibroblast growth facto
r) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System","DNA Repair",Disease,"MAPK family signaling cascades","Intracellular signaling by second messengers",Mitotic,"Innate Immune System","Signaling by Re
ceptor Tyrosine Kinases","DNA Double-Strand Break Repair","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","MAPK1/MAPK3 signaling","PIP3 activate
s AKT signaling","M Phase","Toll-like Receptor Cascades","Signaling by NTRKs","Homology Directed Repair","Signaling by FGFR in disease","Signaling by VEGF","SARS-CoV Infections","RAF/MAP kinase cascad
e","Negative regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Toll Like Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR3 in disease","VEGFA-VEGFR2 Pathway","SARS-CoV-1 Infection",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic 
Anaphase","MyD88 cascade initiated on plasma membrane","MyD88-independent TLR4 cascade","Signalling to ERKs","Negative regulation of MAPK pathway","HDR through Homologous Recombination (HRR)","Signali
ng by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","SARS-CoV-1 Genome Replication and Transcription","Separation of Sister Chromatids","MAP kinase activation","TRIF(TICAM1)-medi
ated TLR4 signaling","Prolonged ERK activation events","Negative feedback regulation of MAPK pathway","Homologous DNA Pairing and Strand Exchange","FGFR3 mutant receptor activation","Replication of th
e SARS-CoV-1 genome","MAPK targets/ Nuclear events mediated by MAP kinases","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","Presynaptic phase of homologous DNA pairing and stran
d exchange","Signaling by activated point mutants of FGFR3","Frs2-mediated activation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{TAK-632,TAK632,1228591-30-7,1228591307,C27H18F4N4O3S,4ksp,1SU,SCHEMBL823682,CHEMBL3125890,BDBM99471,GTPL10387,EX-A242,EXA242,SYN1203,"TAK 632",CHEBI:167673,HMS3653M08,HMS3673M07,AOB87729,BCP08426,"TA
K 632; TAK 632",2742AH,MFCD26960965,NSC778809,s7291,ZINC68208189,AKO,T1886,S7291}

> <pdid>
PD010363

> <targets>
{Raf,Aurora Kinase}

> <classes>
{MAPK,Cell Cycle/DNA Damage,Epigenetics,MAPK/ERK Pathway}

> <pubchem_cids>
{46209401}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 38  0  0  0  0            999 V2000
    1.2951   -5.2547    0.0000 C   0  0
    1.2956   -3.7547    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 S   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 N   0  0
    2.5895   -6.0034    0.0000 N   0  0
    4.1872   -9.7254    0.0000 C   0  0
    3.3014  -10.9347    0.0000 C   0  0
    3.9068  -12.3071    0.0000 C   0  0
    5.3980  -12.4690    0.0000 C   0  0
    6.2839  -11.2586    0.0000 C   0  0
    5.6784   -9.8874    0.0000 C   0  0
    6.2932   -8.5192    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  7  1  0
  3 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 20  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13174

> <plate>
PLATE 003

> <well>
C4

> <supplier_cmpd_name>
Inauhzin

> <ctcr_id>
11591

> <supplier_cmpd_id>
T1887

> <smiles>
CCC(Sc1nc2c(nn1)c1ccccc1[nH]2)C(=O)N1c2ccccc2Sc2ccccc12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{s6744,inauhzin,309271-94-1,309271941,CBKinase1_002235,CBKinase1002235,CBKinase1-002235,"CBKinase1 002235",CBKinase1_014635,CBKinase1014635,CBKinase1-014635,"CBKinase1 014635",Oprea1_520286,Oprea15202
86,Oprea1-520286,"Oprea1 520286",Oprea1_774067,Oprea1774067,Oprea1-774067,"Oprea1 774067",SCHEMBL12821588,AOB1271,EX-A360,EXA360,SYN5075,BCP08991,3735AH,MFCD01819836,STK760853,AKOS001755077,MCULE-1250
539740,MCULE1250539740,AS-16441,AS16441,DA-33531,DA33531,HY-15869,HY15869,FT-0700284,FT0700284,J-018196,J018196,T1887,Inauhzin}

> <pdid>
PD012521

> <targets>
{SIRT1,MDM-2/p53,Sirtuin}

> <classes>
{Chromatin/Epigenetic,DNA Damage/DNA Repair,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5494506}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13175

> <plate>
PLATE 003

> <well>
C5

> <supplier_cmpd_name>
CI994

> <ctcr_id>
415

> <supplier_cmpd_id>
T1888

> <smiles>
CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N

> <pd_targets>
{HDAC1,HDAC3,HDAC2,HDAC10,HDAC11,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Disorders of Nervous System Development","Generic Transcription Pathway","Pervasive d
evelopmental disorders","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 bindin
g ability to the NCoR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Tacedinaline,112522-64-2,112522642,ci-994,ci994,4-acetamido-N-(2-aminophenyl)benzamide,4acetamidoN(2aminophenyl)benzamide,Acetyldinaline,"CI 994",4-acetylamino-N-(2'-aminophenyl)benzamide,4acetylamin
oN(2'aminophenyl)benzamide,"CI994 (Tacedinaline)",Tacedinalina,"Goe 5549",Goe-5549,Goe5549,"PD 123654",N-acetyldinaline,Nacetyldinaline,PD-123654,PD123654,T1888,S2818,CI994}

> <pdid>
PD003432

> <targets>
{HDAC,Apoptosis}

> <classes>
{Epigenetics,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2746}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 S   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5017    0.0000 C   0  0
    1.2902    8.2546    0.0000 F   0  0
   -1.3076    8.2492    0.0000 F   0  0
   -0.0103    9.0017    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  2  0
  4 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13176

> <plate>
PLATE 003

> <well>
C6

> <supplier_cmpd_name>
XAV-939

> <ctcr_id>
1039

> <supplier_cmpd_id>
T1878

> <smiles>
Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F

> <pd_targets>
{PARP2,TNKS,TNKS2,PARP1,PARP14,PARP3,PARP4,WNT3A,AXIN2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction",Disease,"Base Excision Repair","Intracellular signaling by second messengers","Infectious disease","Diseases of signal transduction by growth factor receptors and s
econd messengers","Signaling by WNT","Resolution of Abasic Sites (AP sites)","PIP3 activates AKT signaling","Influenza Infection","SARS-CoV Infections","Signaling by WNT in cancer","TCF dependent sign
aling in response to WNT","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PTEN Regulation","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 Infection","S
ignaling by RNF43 mutants","Formation of the beta-catenin:TCF transactivating complex","POLB-Dependent Long Patch Base Excision Repair","Regulation of PTEN stability and activity","vRNA Synthesis","Tr
anslation of structural proteins","Binding of TCF/LEF:CTNNB1 to target gene promoters","Maturation of nucleoprotein"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{XAV939,XAV_939,"XAV 939",S1180,XAV-939}

> <pdid>
PD011102

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{2726824}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   18.1659    6.0432    0.0000 C   0  0
   16.8669    5.2931    0.0000 C   0  0
   15.5678    6.0431    0.0000 C   0  0
   14.2687    5.2931    0.0000 C   0  0
   12.9674    6.0409    0.0000 N   0  0
   11.6688    5.2886    0.0000 C   0  0
   10.3671    6.0341    0.0000 C   0  0
    9.0707    5.2795    0.0000 C   0  0
    9.0758    3.7795    0.0000 C   0  0
    7.7802    3.0220    0.0000 N   0  0
    7.7876    1.5211    0.0000 C   0  0
    9.0905    0.7779    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
   10.3776    3.0341    0.0000 C   0  0
   11.6740    3.7886    0.0000 C   0  0
   14.2688    3.7931    0.0000 N   0  0
   15.5679    3.0431    0.0000 C   0  0
   15.5679    1.5431    0.0000 N   0  0
   16.8669    3.7931    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 18  1  0
 27 22  1  0
 16 28  1  0
 28 29  2  0
 29 13  1  0
  9 30  1  0
 30 31  2  0
 31  6  1  0
  4 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13177

> <plate>
PLATE 003

> <well>
C7

> <supplier_cmpd_name>
SGI-1027

> <ctcr_id>
1897

> <supplier_cmpd_id>
T1904

> <smiles>
Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1

> <pd_targets>
{DNMT1,DNMT3A,DNMT3L,EHMT1,EHMT2,DNMT3B}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,Reader,"DNA methyltransferase","Methyl-lysine/arginine binding protein","Protein methyltransferase","PWWP domain"}

> <pathway_chembl>
{Enzymes,"2.1.1.- Methyltransferases","Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","Epigenetic regulation of gene expression","RNA Polymerase II Transcription",SUMOylation,"DNA meth
ylation","Generic Transcription Pathway","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by TP53","SUMOylation of DNA methylation proteins","Regulation of TP53 Activity","Regul
ation of TP53 Activity through Methylation"}

> <broad_targets>
{DNMT1,DNMT3A,DNMT3B}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{SGI-1027,SGI1027,1020149-73-8,1020149738,"DNA Methyltransferase Inhibitor II","SGI 1027",CHEMBL2336409,GTPL8891,SCHEMBL3655385,C27H23N7O,AOB6458,HMS3653O06,HMS3748A21,BCP09928,EX-A2160,EXA2160,BDBM50
430056,FD5030,MFCD27937047,NSC783333,s7276,ZINC95591603,AKOS024458519,T1904,S7276}

> <pdid>
PD010369

> <targets>
{"DNA Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{24858111}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    6.3090   -5.7131    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -2.6109    7.4988    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7616   -9.1692    0.0000 C   0  0
   -2.6947   -6.3191    0.0000 C   0  0
   -3.6951   -7.4368    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
  9 16  2  0
 16 17  1  0
 17 18  2  0
 18  7  1  0
 18 19  1  0
 19  5  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13178

> <plate>
PLATE 003

> <well>
C8

> <supplier_cmpd_name>
Pracinostat

> <ctcr_id>
7417

> <supplier_cmpd_id>
T1890

> <smiles>
CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC

> <pd_targets>
{HDAC2,HDAC5,HDAC11,HDAC3,HDAC10,HDAC6,HDAC4,HDAC8,HDAC1,HDAC9,HDAC7}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IV","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental
 Biology",Mitotic,"Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","M Phase","Transcriptional Regulation by TP53","Signaling by NOTCH1 HD+PEST 
Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+
PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Mitotic Anaphase","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability
 to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","RUNX2 regulates chondrocyte maturation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
{HDAC1,HDAC10,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Pracinostat,929016-96-6,929016966,SB939,"SB 939","Pracinostat (SB939)",SB-939,UNII-GPO2JN4UON,UNIIGPO2JN4UON,GPO2JN4UON,CHEMBL1851943,"Pracinostat (INN)",pracinostatum,"SB939,Pracinostat",Pracinostat
(SB939),"SB939 (Pracinostat)",cc-70,cc70,MLS006011217,SCHEMBL833,S1515}

> <pdid>
PD010994

> <targets>
{HDAC}

> <classes>
{}

> <pubchem_cids>
{49855250}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.1996   -1.4928    0.0000 F   0  0
   -3.8964    0.7545    0.0000 F   0  0
   -5.1966    0.0070    0.0000 F   0  0
    0.3114    2.9665    0.0000 N   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 N   0  0
    2.5536    4.4230    0.0000 N   0  0
    2.0411    5.8141    0.0000 C   0  0
    3.2309    6.7275    0.0000 C   0  0
    4.4673    5.8782    0.0000 C   0  0
    4.0417    4.4399    0.0000 N   0  0
    3.1945    8.2253    0.0000 C   0  0
    4.4744    9.0075    0.0000 O   0  0
    1.8773    8.9431    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  3 13  1  0
 13 14  2  0
 14 15  1  0
 15  2  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 16  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13179

> <plate>
PLATE 003

> <well>
C9

> <supplier_cmpd_name>
HIF-PHD Inhibitor II

> <ctcr_id>
11751

> <supplier_cmpd_id>
T3180

> <smiles>
c1c2c(cc(c1Cl)OC(F)(F)F)nc([nH]2)n1cc(cn1)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"IFPHD INHIBITOR I",JNJ-42041935,JNJ42041935,1193383-09-3,1193383093,UNII-T4PPL01131,UNIIT4PPL01131,CHEMBL3115312,T4PPL01131,"JNJ 42041935",SCHEMBL1192988,EX-A740,EXA740,BCP16311,BDBM50446900,MFCD255
41711,ZINC68199903,AKOS030260391,CS-4216,CS4216,NCGC00484069-01,NCGC0048406901,AK547071,BS-14602,BS14602,HY-12832,HY12832,J-,J,T3180,"HIF-PHD Inhibitor II"}

> <pdid>

> <targets>
{PHD1,PHD2,PHD3}

> <classes>
{Metabolism,Chromatin/Epigenetic}

> <pubchem_cids>
{45102710}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 37  0  0  0  0            999 V2000
    6.4643   -9.7605    0.0000 C   0  0
    6.4719   -8.2606    0.0000 N   0  0
    7.7747   -7.5171    0.0000 C   0  0
    7.7822   -6.0171    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    6.4915   -3.7597    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 C   0  0
   -3.9374   -7.0521    0.0000 N   0  0
   -2.5250   -7.5572    0.0000 C   0  0
   -1.6082   -6.3700    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1842   -6.0040    0.0000 C   0  0
    5.1766   -7.5040    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  1  0
 27 28  2  0
 28 20  1  0
 19 29  1  0
 29 16  1  0
 29 30  2  0
 30 13  1  0
  5 31  1  0
 31 32  1  0
 32  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13180

> <plate>
PLATE 003

> <well>
C10

> <supplier_cmpd_name>
URMC-099

> <ctcr_id>
11594

> <supplier_cmpd_id>
T6057

> <smiles>
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1

> <pd_targets>
{MAP3K2,IGF1R,MAPK8,ROCK1,DLK1,MAP3K10,CDK1,SGK1,ROCK2,ABL1,CYP3A4,MAP3K9,MAPK14,NTRK2,FLT3,SYK,LCK,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,AURKB,MAP3K11,FLT1,LRRK2,ZAP70,MAPK1,MET,AURKC,CHUK
,AURKA,SRC,INSR,DAPK3,CDK2,IKBKB,NTRK1,KCNH2,SRPK2,CDKL2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Kinase,"Cytochrome P450","Voltage-gated ion channel","Protein Kinase","Cytochrome P450 family 3","Potassium channels","STE protein kinase group","TK protei
n kinase group","CMGC protein kinase group","AGC protein kinase group","TKL protein kinase group","Cytochrome P450 family 3A","CAMK protein kinase group","Other protein kinase group","Voltage-gated po
tassium channel","STE protein kinase STE11 family","Tyrosine protein kinase InsR family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","TKL protein kinase MLK family","CMGC protei
n kinase CDK family","AGC protein kinase SGK family","Tyrosine protein kinase Abl family","Cytochrome P450 3A4","Tyrosine protein kinase Trk family","Tyrosine protein kinase PDGFR family","Tyrosine pr
otein kinase Syk family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK1 family","Other protein kinase AUR family","Tyrosine protein kinase VEGFR family","TKL protein kinase LRRK famil
y","Tyrosine protein kinase Met family","Other protein kinase IKK family","CAMK protein kinase DAPK family","CMGC protein kinase SRPK family","CMGC protein kinase CDKL family","STE protein kinase MEKK
2","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CAMK protein kin
ase AMPK subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Rece
ptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CYP3 family","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","STE11 fa
mily","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","DMPK family","TKL: Tyrosine kinase-like","Cyclin-dependent kinase (CDK) family","SGK family","Other protein kinases","Dea
th-associated kinase (DAPK) family","Voltage-gated potassium channels","SRPK family","Cyclin-dependent kinase-like (CDKL) family","Receptor tyrosine kinases (RTKs)","JNK subfamily","Rho kinase","Mixed
 Lineage Kinase (MLK) family","CDK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","p38 subfamily","Aurora kinase (Aur) family","Leucine-rich repeat kinase (LRRK) family","ERK subfamily","IKK fami
ly","Type II RTKs: Insulin receptor family","MLK subfamily","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Syk family","Src fami
ly","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Developmental Biology","Cell Cycle","Gene expression (Transcription)",Disease,Metabolism,"Programmed Cell Death","Muscle contraction","Signaling by Receptor Tyr
osine Kinases","Innate Immune System","Nervous system development","Signaling by NOTCH",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Diseases of signal transd
uction by growth factor receptors and second messengers","Signaling by Non-Receptor Tyrosine Kinases","Adaptive Immune System","Intracellular signaling by second messengers",Apoptosis,"Cardiac conduct
ion","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Toll-like Receptor Cascades","Axon guidance","Signaling by NOTCH1","Regulation of mitotic cell cycle","Generic Transcription P
athway","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by NTRKs","Signaling by Insulin receptor","HIV Infection","M Phase","Oncogenic MAPK signaling","Si
gnaling by VEGF","Signaling by PTK6","TCR signaling","PIP3 activates AKT signaling","Caspase activation via extrinsic apoptotic signalling pathway","Phase 3 - rapid repolarisation","IGF1R signaling ca
scade","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Activated NOTCH1 Transmits Signal to the Nucleus","APC/C-mediated degradation of cell cycle proteins","Transcriptional Regulatio
n by TP53","Parasite infection","Biosynthesis of DHA-derived SPMs","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Leishmania parasite growth and survival","Host Interactions of HIV
 factors","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","VEGF ligand-receptor interactions","PTK6 promotes HIF1A stabilization","Generation of second messenger molecules","Toll Like Rece
ptor 4 (TLR4) Cascade","Negative regulation of the PI3K/AKT network","Caspase activation via Dependence Receptors in the absence of ligand","IRS-related events triggered by IGF1R","MyD88 cascade initi
ated on plasma membrane","Sema4D in semaphorin signaling","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity","Leishmania phagocytosis","Biosyn
thesis of maresins","Activation of TRKA receptors","IRS-mediated signalling","Anti-inflammatory response favouring Leishmania parasite infection","The role of Nef in HIV-1 replication and disease path
ogenesis","Mitotic Anaphase","Signaling downstream of RAS mutants","VEGF binds to VEGFR leading to receptor dimerization","MyD88-independent TLR4 cascade","Signalling to ERKs",PI5P,"PP2A and IER3 Regu
late PI3K/AKT Signaling","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression and Degr
adation","FCGR3A-mediated phagocytosis","Biosynthesis of maresin-like SPMs","NGF-independant TRKA activation","PI3K Cascade","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surf
ace receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","TRIF(TICAM1)-mediated TLR4 signaling","Regulatio
n of TP53 Activity through Phosphorylation","Signalling to RAS","Prolonged ERK activation events","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 mediated degradation of cell cycle p
roteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","IKK complex recruitment mediated by RIP1","p38MAPK events","ARMS-mediate
d activation","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CDKL2,DAPK3,FLT3,LRRK2,MAP3K10,MAP3K11,MAP3K2,MAP3K9,SRPK2}

> <broad_moa>
{"mixed lineage kinase inhibitor"}

> <synonyms>
{RMC09,HMS3674I17,BCP11155,URMC-099,URMC099,1229582-33-5,1229582335,CHEMBL2436978,C27H27N5,"compound 1 (PMID 24044867)",SCHEMBL722076,GTPL8106,"URMC 099;URMC099",SYN1211,EX-A1276,EXA1276,BDBM50441567,
MFCD28168077,s7343,ZINC68243575,CCG-268902,CCG268902,NCGC00386408-03,NCGC0038640803,AC-33141,AC33141,AS-16339,AS16339,DA-,DA,T6057}

> <pdid>
PD003213

> <targets>
{LRRK2,"Aurora A","Aurora B","Aurora C",Abl1,CDK1,CDK2,c-Met,DLK,IGF-1R,"Insulin Receptor",MEKK2,MLK1,MLK2,MLK3,ROCK1,ROCK2,SGK,SGK1,Lck,Syk,TrkA,TrkB,VEGFR1/FLT1,Autophagy,"Mixed Lineage Kinase"}

> <classes>
{Cell Cycle/Checkpoint,Angiogenesis,Autophagy,DNA Damage/DNA Repair,MAPK,Metabolism,Tyrosine Kinase/AdaptorsChromatin/EpigeneticCytoskeletal SignalingStem Cells,MAPK/ERK Pathway}

> <pubchem_cids>
{54764565}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 37  0  0  1  0            999 V2000
    6.8594   -0.2862    0.0000 C   0  0
    5.8760    0.8464    0.0000 C   0  0
    4.4000    0.5600    0.0000 C   0  0
    4.2200   -1.1700    0.0000 N   0  0
    2.7300   -2.3100    0.0000 C   0  0
    3.3354   -3.6824    0.0000 O   0  0
    1.0600   -2.6100    0.0000 C   0  0  1  0  0  0
    0.5100   -1.7100    0.0000 C   0  0
    1.1200   -0.8600    0.0000 S   0  0
    1.1200    0.1700    0.0000 S   0  0
    0.1700    0.8900    0.0000 C   0  0
   -0.7300    0.2000    0.0000 C   0  0
   -2.2400    0.4400    0.0000 C   0  0
   -2.2400    1.3600    0.0000 C   0  0
   -3.5000    1.7400    0.0000 C   0  0  2  0  0  0
   -4.3000    0.3600    0.0000 C   0  0
   -3.0600   -0.8000    0.0000 C   0  0
   -1.5902   -0.5006    0.0000 O   0  0
   -3.6400   -2.1100    0.0000 N   0  0
   -2.7700   -3.5200    0.0000 C   0  0  2  0  0  0
   -3.7604   -4.6549    0.0000 C   0  0
   -5.2325   -4.3670    0.0000 C   0  0
   -3.2741   -6.0739    0.0000 C   0  0
   -1.3000   -4.2000    0.0000 C   0  0
   -1.5134   -5.6847    0.0000 O   0  0
    0.3800   -3.9500    0.0000 N   0  0
   -3.5000    2.9300    0.0000 O   0  0
   -1.6300    3.7800    0.0000 C   0  0
   -1.9475    5.2460    0.0000 O   0  0
    0.9600    3.7800    0.0000 C   0  0  1  0  0  0
    1.8200    2.1800    0.0000 N   0  0
    3.3500    2.1800    0.0000 C   0  0
    4.0663    3.4979    0.0000 O   0  0
    1.8359    4.9889    0.0000 C   0  0
    1.2289    6.3606    0.0000 C   0  0
    3.3274    4.8292    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  1
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  2  0
 24 26  1  0
 26  7  1  0
 15 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32  3  1  0
 32 33  2  0
 30 34  1  6
 34 35  1  0
 34 36  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13181

> <plate>
PLATE 003

> <well>
C11

> <supplier_cmpd_name>
Romidepsin

> <ctcr_id>
723

> <supplier_cmpd_id>
T6006

> <smiles>
C/C=C/1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C

> <pd_targets>
{HDAC8,HDAC6,BRD4,HDAC9,HDAC1,HDAC2,HDAC4,HDAC3,NCOR2,HDAC7,NCOR1,HDAC10,HDAC11,HDAC5}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class I","HDAC class IIb","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Mitotic,"RNA Polymerase II Transcription","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers
","Disorders of Developmental Biology","M Phase","Generic Transcription Pathway","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","Mitotic Metaphase and 
Anaphase","Transcriptional regulation by RUNX2","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation
 by TP53","Mitotic Anaphase","RUNX2 regulates bone development","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Se
paration of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte ma
turation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Romidepsin,FK228,Depsipeptide,Istodax,"Antibiotic FR 901228",FR901228,128517-07-7,128517077,Chromadax,FK-228,"FR 901228",FR-901228,NSC-630176,NSC630176,C24H36N4O6S2,"FK 228",CHEMBL343448,CHEBI:61080,
NSC754143,UNII-CX3T89XQBK,UNIICX3T89XQBK,"Istodax (TN)",CX3T89XQBK,H,T6006,754143,"NSC 754143"}

> <pdid>
PD054134

> <targets>
{Apoptosis,HDAC}

> <classes>
{HDAC inhibitor,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5352062}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3032   -3.7490    0.0000 O   0  0
   -1.2946   -3.7531    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -9.0999    3.7419    0.0000 C   0  0
  -10.3966    2.9880    0.0000 O   0  0
   -9.1049    5.2419    0.0000 O   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
    5.2088    5.9860    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  2  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
  4 24  1  6
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13182

> <plate>
PLATE 003

> <well>
D2

> <supplier_cmpd_name>
GSK1324726A

> <ctcr_id>
11952

> <supplier_cmpd_id>
T6021

> <smiles>
C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c1ccc(cc1)C(=O)O)Nc1ccc(cc1)Cl

> <pd_targets>
{TAF1L,BRD3,BRD4,TAF1,CREBBP,PBRM1,BRD2,CYP2C9,CYP3A4,TRIM24,BRDT,CYP2C19,EP300,TRIM33,BRWD1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Writer,"Cytochrome P450",Bromodomain,"Histone acetyltransferase","Cytochrome P450 family 2","Cytochrome P450 family 3","Methyl-lysine/arginine binding protein","p
300/CBP family","Cytochrome P450 family 2C","Cytochrome P450 family 3A","WDR domain","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Cytochrome P450","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","
CYP2 family: drug metabolising subset","CYP3 family","TAF1 family","Bromodomain kinase (BRDK) family","TIF1 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)",Metabolism,"Immune System","Infectious disease","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids","Diseases of signal transduc
tion by growth factor receptors and second messengers","Cytokine Signaling in Immune system","HIV Infection","SARS-CoV Infections","Generic Transcription Pathway","Phase I - Functionalization of compo
unds","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by FGFR in disease","Signaling by Interleukins","HIV Life Cycle","Potential therapeutics for SARS","Transcriptional Regulat
ion by TP53","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Signaling by FGFR1 in diseas
e","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","Interleukin-7 signaling","Late Phase of HIV Life Cycle","TP53 Regulates Transcription of Cell Death Genes","RUNX1 interacts with co-fac
tors whose precise effect on RUNX1 targets is not known","RUNX3 regulates p14-ARF",Xenobiotics,"Biosynthesis of maresins","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Downregulati
on of SMAD2/3:SMAD4 transcriptional activity","Transcription of the HIV genome","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","CYP2E1 reactions","Biosynthesis of maresin-lik
e SPMs","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Activity through Acetylation","HIV Transcription Initiation","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GSK1324726A,1300031-52-0,1300031520,I-BET-726,IBET726,CHEMBL2177300,"GSK1324726A (I-BET726)","GSK1324726A (IBET726)",C25H23ClN2O3,GSK-1324726A,4bjx,4uyf,4uyg,73B,SCHEMBL1906368,AOB87104,EX-A2221,EXA2
221,2444AH,BDBM50028142,"GSK 1324726A",MFCD28144683,NSC782763,s7620,ZINC95504909,CCG-269073,CCG269073,CS-,CS,T6021}

> <pdid>
PD021582

> <targets>
{BRD2,BRD3,BRD4}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{52912222}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    9.0907   -5.2832    0.0000 C   0  0
    7.7876   -6.0260    0.0000 C   0  0
    6.4915   -5.2692    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    1.2931   -5.2490    0.0000 O   0  0
    2.5844   -7.5034    0.0000 N   0  0
    3.8808   -8.2579    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8756   -9.7579    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    0.3114    2.9665    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -6.4978   -0.7563    0.0000 N   0  0
   -6.5026    0.7438    0.0000 C   0  0
   -7.8041    1.4897    0.0000 C   0  0
   -9.1007    0.7355    0.0000 N   0  0
   -9.0959   -0.7645    0.0000 C   0  0
   -7.7945   -1.5103    0.0000 C   0  0
  -10.4021    1.4814    0.0000 C   0  0
   -0.6890    4.0818    0.0000 C   0  0
   -0.2237    5.5078    0.0000 C   0  0
   -2.1567    3.7722    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  9 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 16  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 27 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
 34 37  1  0
 20 38  1  0
 38 39  1  0
 38 40  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13183

> <plate>
PLATE 003

> <well>
D3

> <supplier_cmpd_name>
GSK343

> <ctcr_id>
11467

> <supplier_cmpd_id>
T6059

> <smiles>
CCCc1c(c(=O)[nH]c(c1)C)CNC(=O)c1c2cnn(c2cc(c1)c1cc(ncc1)N1CCN(CC1)C)C(C)C

> <pd_targets>
{EED,EZH2,RBBP4,RBBP7,SUZ12,SETD7,EZH1,AEBP2,PRMT3}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","SET domain","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","L-Arginine turnover","2.1.1.43 Histone methyltransferases (HMTs)","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Signal Transduction","Chromatin organization","Intracellular signaling by second messengers","Chromatin modifying enzymes","PIP3 activates AKT signaling","PKMTs methylate histone lysines","RMTs meth
ylate histone arginines","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1346704-33-3,1346704333,GSK-343,"GSK 343",CHEMBL2204995,C31H39N7O2,"compound 6 (PMID 24900432)",GTPL8240,SCHEMBL14716863,AOB3680,EX-A244,EXA244,SYN5151,CHEBI:167693,HMS3740C09,BCP07777,2449AH,BDBM504
00778,MFCD25563250,ZINC95564006,AKOS025405231,CS-1626,CS1626,NCGC00,T6059,GSK343}

> <pdid>
PD000032

> <targets>
{EZH1,EZH2,Autophagy,Histone Methyltransferase}

> <classes>
{Chromatin/Epigenetic,Autophagy,Epigenetics}

> <pubchem_cids>
{71268957}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 C   0  0
    6.2823   -1.5084    0.0000 C   0  0
    7.6962   -2.0093    0.0000 O   0  0
    5.8565   -0.0701    0.0000 N   0  0
    4.3570   -0.0307    0.0000 C   0  0
    3.4982    1.1992    0.0000 O   0  0
    4.9973   -3.8578    0.0000 C   0  0
    6.2559   -4.6520    0.0000 C   0  0
    5.8646   -6.1001    0.0000 N   0  0
    6.8071   -7.2647    0.0000 C   0  0
    8.2897   -7.0313    0.0000 C   0  0
    9.2338   -8.1979    0.0000 C   0  0
   10.7164   -7.9645    0.0000 S   0  0
   11.6605   -9.1312    0.0000 C   0  0
   11.1221  -10.5312    0.0000 N   0  0
   13.1423   -8.8979    0.0000 N   0  0
    4.3672   -6.1750    0.0000 C   0  0
    3.4207   -7.3387    0.0000 C   0  0
    1.9397   -7.1008    0.0000 C   0  0
    1.4052   -5.6993    0.0000 C   0  0
    2.3517   -4.5356    0.0000 C   0  0
    3.8327   -4.7735    0.0000 C   0  0
   16.9431   -3.0160    0.0000 C   0  0
   16.9431   -4.5160    0.0000 S   0  0
   16.9431   -6.0160    0.0000 O   0  0
   15.6438   -5.2655    0.0000 O   0  0
   18.2424   -5.2655    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 20 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 18  1  0
 33 28  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 35 38  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13184

> <plate>
PLATE 003

> <well>
D4

> <supplier_cmpd_name>
Ro 31-8220 Mesylate

> <ctcr_id>
2798

> <supplier_cmpd_id>
T6643

> <smiles>
Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCSC(N)=N)c5ccccc45.C[S](O)(=O)=O

> <pd_targets>
{PRKCA,HST2,HIPK1,TP53,SIRT1,SIRT2,RPS6KB1,PIM1,PRKCB,TBK1,RPS6KA3,GSK3B,MAPT,FTL,RPS6KA2,KMT2A,MEN1,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,MDH,SIRT3,RORC,ALD,PRKACA,CTRB1,FFP,MAP4K1,VR
K2,MAP3K8,VRK1,MAPK1,RECQL,HSD17B10,CYP3A4,TSHR,ALOX15,LEF,RPS6KA5}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Membrane receptor",Kinase,Eraser,Reader,Oxidoreductase,"Nuclear receptor",Transferase,Protease,"
Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase","Histone deacetylase",Bromodomain,"Nuclear hormone receptor subfamily 1","Serine protease","Cysteine protease","Cytochrome P450 
family 3","Peptide receptor (family A GPCR)","Metallo protease","AGC protein kinase group","CMGC protein kinase group","HDAC class III","CAMK protein kinase group","Other protein kinase group","Nuclea
r hormone receptor subfamily 1 group F","STE protein kinase group","CK1 protein kinase group","Serine protease PA clan","Cysteine protease CA clan","Cytochrome P450 family 3A","Glycohormone receptor",
"Metallo protease MAE clan","AGC protein kinase PKC family","CMGC protein kinase DYRK family","AGC protein kinase RSK family","CAMK protein kinase PIM family","Other protein kinase IKK family","CMGC p
rotein kinase GSK family","Nuclear hormone receptor subfamily 1 group F member 3","AGC protein kinase PKA family","STE protein kinase STE20 family","STE protein kinase STE11 family","CK1 protein kinas
e VRK family","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Cysteine protease C1A family","Cytochrome P450 3A4","Metallo protease M34 family","AGC protein kinase PKC alpha subfami
ly","CMGC protein kinase HIPK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase RSK subfamily","STE protein kinase KHS subfamily","CMGC protein kinase ERK1","AGC protein kinase MSK sub
family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Catalytic receptors","Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Eicosanoid turnover","AGC: Co
ntaining PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","3.5.1.- Histone deacetylases (HDACs)","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","1F. Ret
inoic acid-related orphans","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","CYP3 family","Glycoprotein hormone receptors",Lipoxygenases,"Protein kinase C (
PKC) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","RSK family","PIM family","Other protein kinases","Glycogen synthase kinase (GSK) family","Protein kinase A 
(PKA) family","STE20 family","Vaccina related kinase (VRK) family","STE-unique family","Mitogen-activated protein kinases (MAP kinases)","Delta subfamily","HIPK subfamily","p70 subfamily","Alpha subfa
mily","IKK family","RSK subfamily","GSK subfamily","KHS subfamily","ERK subfamily","MSK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,"Immune System","Neuronal System","Vesicle-mediated transport",Metabolism,"Signaling by GPCR","RNA Polymerase II Transcrip
tion","Cell Cycle Checkpoints",Mitotic,"MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Infectious disease","Transmission ac
ross Chemical Synapses","Membrane Trafficking","Cytokine Signaling in Immune system","Metabolism of vitamins and cofactors","Metabolism of amino acids and derivatives","Metabolism of lipids","GPCR dow
nstream signalling","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","M Phase","mTORC1-mediated signalling","FLT3 signaling in disease","Toll-like Receptor Cascades","SARS-CoV Infections"
,"Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Signaling by Interleukins","Metabolism of water-soluble vitamins and 
cofactors","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Uptake and actions of bacterial toxins","G alpha (i) signalling ev
ents","Transcriptional Regulation by TP53","p53-Dependent G1/S DNA damage checkpoint","FOXO-mediated transcription","Mitotic Metaphase and Anaphase","Signaling by FLT3 ITD and TKD mutants","Mitotic Pr
ophase","Toll Like Receptor 4 (TLR4) Cascade","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis",
"Transcriptional regulation by RUNX3","G2/M Transition","Interleukin-1 family signaling","Cobalamin (Cbl","vitamin B12) transport and metabolism","Biosynthesis of DHA-derived SPMs","Leishmania parasit
e growth and survival","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Visual phototransduction","Regulation of TP53 Activity","p53-Dependent G1 DNA Damage Response","Regul
ation of FOXO transcriptional activity by acetylation","Mitotic Anaphase","STAT5 activation downstream of FLT3 ITD mutants","Nuclear Envelope Breakdown","MyD88-independent TLR4 cascade","MyD88 cascade
 initiated on plasma membrane","SARS-CoV-1 Genome Replication and Transcription","Post NMDA receptor activation events","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"
,"RUNX3 Regulates Immune Response and Cell Migration","Centrosome maturation","Interleukin-1 signaling","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection",
"Biosynthesis of DPAn-3 SPMs","The phototransduction cascade","Regulation of TP53 Activity through Phosphorylation","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Depolymerisation of the N
uclear Lamina","TRIF(TICAM1)-mediated TLR4 signaling","MAP kinase activation","Replication of the SARS-CoV-1 genome","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase
 microtubule organization from the centrosome","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis 
of DPAn-3-derived protectins and resolvins",Inactivation,"recovery and regulation of the phototransduction cascade","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (N
E) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","CREB phosphorylation","ERK/MAPK ta
rgets","ERKs are inactivated"}

> <broad_targets>
{AKT1,GSK3B,LCK,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,PRKCA,ROCK1,RPS6KB1,SIRT1}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{"Ro 31-8220 mesylate","Ro 318220 mesylate",138489-18-6,138489186,"Bisindolylmaleimide IX mesylate","Ro 31-8220 (mesylate)","Ro 318220 (mesylate)","RO31-8220 mesylate","RO318220 mesylate","Bisindolylm
aleimide IX, Methanesulfonate",CHEMBL1591531,"InSolution&trade; Ro-31-8220","InSolution&trade; Ro318220",BMK1-D9,BMK1D9,"RO31-8220 methanesulfonate","RO318220 methanesulfonate",Ro?31-8220,Ro?318220,T6
643,"EMD 557520",2002,EI-283,"Ro 31-8220 Mesylate",557520}

> <pdid>
PD038906

> <targets>
{"Broad Spectrum Inhibitor",Ro-31-8220,PKC}

> <classes>
{}

> <pubchem_cids>
{11628205}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    6.5017   -0.7634    0.0000 C   0  0
    5.2001   -1.5088    0.0000 O   0  0
    5.1939   -3.0097    0.0000 C   0  0
    6.4914   -3.7623    0.0000 C   0  0
    6.4883   -5.2623    0.0000 C   0  0
    5.1877   -6.0097    0.0000 C   0  0
    3.8902   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    1.2973   -2.2519    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 16  1  0
 23 24  2  0
 24 13  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13185

> <plate>
PLATE 003

> <well>
D5

> <supplier_cmpd_name>
PFI-1

> <ctcr_id>
1547

> <supplier_cmpd_id>
T6222

> <smiles>
COc1ccccc1S(=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2

> <pd_targets>
{BRD4,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al Regulation by TP53","TP53 Regulates Transcription of Cell Death Genes","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
{BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{"FI1 (PF6405761",PFI-1,PFI1,1403764-72-6,1403764726,"PFI-1 (PF-6405761)","PFI1 (PF6405761)",PF-6405761,PF6405761,PF-06405761,PF06405761,HY-16586,HY16586,QCR-192,QCR192,"PFI 1",CHEMBL2179387,C16H17N3O
4S,"2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide","2methoxyN(3methyl2oxo1,4dihydroquinazolin6yl)benzenesulfonamide",GTPL7523,SCHEMBL14721611,CHEBI:95079,AOB2223,T6222,S121
6,"PFI-1
(PF-6405761)"}

> <pdid>
PD000013

> <targets>
{Others,"Epigenetic Reader Domain"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{71271629}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 O   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5117    0.0000 C   0  0
   -6.4854   -8.2648    0.0000 C   0  0
   -6.4833   -9.7657    0.0000 C   0  0
   -7.7815  -10.5188    0.0000 C   0  0
   -9.0818   -9.7710    0.0000 O   0  0
   -7.7793  -12.0196    0.0000 N   0  0
   -9.0768  -12.7723    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
  4 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13186

> <plate>
PLATE 003

> <well>
D6

> <supplier_cmpd_name>
LMK-235

> <ctcr_id>
11468

> <supplier_cmpd_id>
T6061

> <smiles>
Cc1cc(cc(c1)C(=O)NOCCCCCC(=O)NO)C

> <pd_targets>
{HDAC4,HDAC2,HDAC1,HDAC8,HDAC5,HDAC11,HDAC6,HDAC10,HDAC3,HDAC7,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIa","HDAC class I","HDAC class IV","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Disorders of Developmental Biology",Mitotic,"Diseases of signal transduction by growth factor receptors and s
econd messengers","Generic Transcription Pathway","Disorders of Nervous System Development","M Phase","Signaling by NOTCH1 in Cancer","Transcriptional regulation by RUNX2","Transcriptional Regulation 
by TP53","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","RUNX2 regulates bone development","Regulation of TP53 Activity","L
oss of function of MECP2 in Rett syndrome","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates chondrocyte maturation","Regulation of TP53 Activity through Ac
etylation","Loss of MECP2 binding ability to 5mC-DNA","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{HDAC4,HDAC5}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{MK23,LMK-235,LMK235,1418033-25-6,1418033256,"LMK 235","N-((6-(hydroxyamino)-6-oxohexyl)oxy)-3,5-dimethylbenzamide","N((6(hydroxyamino)6oxohexyl)oxy)3,5dimethylbenzamide",CHEMBL2312168,"N-(6-(hydroxya
mino)-6-oxohexoxy)-3,5-dimethylbenzamide","N(6(hydroxyamino)6oxohexoxy)3,5dimethylbenzamide","N-((6-(Hydroxyamino)-6-oxohexyl)oxy)-3,5-dimethyl-benzamide","N((6(Hydroxyamino)6oxohexyl)oxy)3,5dimethylb
enzamide",N-((6-(Hydroxyamino)-,N((6(Hydroxyamino),T6061}

> <pdid>
PD012268

> <targets>
{HDAC4,HDAC5}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{71520717}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    8.5623   -9.6094    0.0000 C   0  0
    7.0623   -9.6116    0.0000 O   0  0
    6.3091   -8.3134    0.0000 C   0  0
    7.0591   -7.0143    0.0000 C   0  0
    6.3090   -5.7153    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 O   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 C   0  0
    2.6367    3.3928    0.0000 C   0  0
    0.7463    5.2884    0.0000 O   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.2149    3.8587    0.0000 C   0  0
   -2.6380    3.3844    0.0000 C   0  0
    4.0591   -7.0144    0.0000 C   0  0
    4.8091   -8.3134    0.0000 C   0  0
    4.0592   -9.6125    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  9  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 13 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
  6 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13187

> <plate>
PLATE 003

> <well>
D7

> <supplier_cmpd_name>
SGC-CBP30

> <ctcr_id>
7366

> <supplier_cmpd_id>
T6668

> <smiles>
COc1ccc(CCc2nc3cc(ccc3n2CC(C)N4CCOCC4)c5c(C)onc5C)cc1Cl

> <pd_targets>
{EP300,CREBBP,BRD4,TP53}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Writer,Reader,"Histone acetyltransferase",Bromodomain,"p300/CBP family"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Bromodomain-containing proteins","Chromatin modifying enzymes","Non-enzymatic BRD containing proteins","Enzymatic bromodomain-containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Infectious disease","Cell Cycle Checkpoints","Generic Transcription Pathway","SARS-CoV Infections","G1/S DNA 
Damage Checkpoints","Transcriptional Regulation by TP53","Potential therapeutics for SARS","p53-Dependent G1/S DNA damage checkpoint","Regulation of TP53 Activity","TP53 Regulates Transcription of Cel
l Death Genes","p53-Dependent G1 DNA Damage Response","Regulation of TP53 Activity through Acetylation","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","Stabilization of p53",
"PI5P Regulates TP53 Acetylation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{CREBBP,EP300}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{SGC-CBP30,SGCCBP30,1613695-14-9,1613695149,2LO,C28H33ClN4O3,GTPL7529,CHEMBL3622373,SCHEMBL17512896,AOB4800,BDBM188519,EX-A2159,EXA2159,2715AH,MFCD26792586,s7256,ZINC96170456,AKOS024458401,CCG-269770,
CCG269770,NCGC00351475-07,NCGC0035147507,"SGC-CBP30, >=98 (HPLC)","SGCCBP30, >=98 (HPLC)",AS-56079,AS56079,BP-25374,BP25374,HY-15826,HY15826,SW219645-1,SW2196451,S7256}

> <pdid>
PD000027

> <targets>
{"Epigenetic Reader Domain"}

> <classes>
{}

> <pubchem_cids>
{72201027}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 N   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 N   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
    2.5766  -10.5006    0.0000 N   0  0
    1.2805   -9.7438    0.0000 C   0  0
   -0.1265  -10.1481    0.0000 C   0  0
   -0.5046   -8.6965    0.0000 O   0  0
    0.9469   -8.3184    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  6  1  0
  2 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13188

> <plate>
PLATE 003

> <well>
D8

> <supplier_cmpd_name>
EPZ015666

> <ctcr_id>
12565

> <supplier_cmpd_id>
T6076

> <smiles>
O[C@@H](CN1Cc2c(CC1)cccc2)CNC(=O)c1ncnc(c1)NC1COC1

> <pd_targets>
{PRMT5,WDR77}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{PRMT5}

> <broad_moa>
{"protein arginine N-methyltransferase inhibitor"}

> <synonyms>
{SCHEMBL16220833,BDBM394693,"US10307413, Compound 336","US10307413, Compound 367",ZINC220110667,T6076,EPZ015666}

> <pdid>
PD013061

> <targets>
{PRMT5}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{117685810}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.5087    3.7592    0.0000 C   0  0
    7.8064    3.0070    0.0000 C   0  0
    7.8033    1.5061    0.0000 N   0  0
    6.5025    0.7576    0.0000 C   0  0
    5.2048    1.5099    0.0000 O   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.1073    3.7555    0.0000 C   0  0
    9.1125    5.2555    0.0000 C   0  0
   10.4142    6.0010    0.0000 C   0  0
   11.7106    5.2465    0.0000 C   0  0
   11.7054    3.7465    0.0000 C   0  0
   10.4038    3.0010    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 14  1  0
 24 19  1  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13189

> <plate>
PLATE 003

> <well>
D9

> <supplier_cmpd_name>
Sirtinol

> <ctcr_id>
3734

> <supplier_cmpd_id>
T6671

> <smiles>
CC(NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4

> <pd_targets>
{SIR2,SIRT2,SIRT1,HST2,SIRT5}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Organelle biogenesis and maintenance",Mitotic,"RNA Polymerase II Transcription","Mitochondrial biogenesis","M Phase","Generic Transcription Pathway","T
ranscriptional activation of mitochondrial biogenesis","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","N
uclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1,SIRT2}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{Sirtinol,410536-97-9,410536979,CHEMBL380797,2-((2-Hydroxynaphthalen-1-ylmethylene)amino)-N-(1-phenethyl)benzamide,2((2Hydroxynaphthalen1ylmethylene)amino)N(1phenethyl)benzamide,2-(((2-hydroxy-1-napht
hyl)methylene)amino)-N-(1-phenylethyl)benzamide,2(((2hydroxy1naphthyl)methylene)amino)N(1phenylethyl)benzamide,(E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N-(1-phenylethyl)benzam,(E)2((2hydroxyna
phthalen1yl)methyleneamino)N(1phenylethyl)benzam,T6671,S2804}

> <pdid>
PD010564

> <targets>
{Sirtuin}

> <classes>
{Epigenetics}

> <pubchem_cids>
{2827646}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
   11.0124   -1.9307    0.0000 C   0  0
   11.1668   -3.4228    0.0000 C   0  0
    9.7955   -4.0307    0.0000 C   0  0
    8.8153   -2.9121    0.0000 C   0  0
    7.3221   -3.0635    0.0000 N   0  0
    6.4437   -1.8466    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
    9.5457   -1.6165    0.0000 C   0  0
   13.6668   -0.8899    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  3  0
  4 20  1  0
 20  1  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13190

> <plate>
PLATE 003

> <well>
D10

> <supplier_cmpd_name>
Remodelin hydrobromide

> <ctcr_id>
11597

> <supplier_cmpd_id>
T6133

> <smiles>
C1CCC(=NNc2nc(cs2)c2ccc(cc2)C#N)C1.Br

> <pd_targets>
{MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB"}

> <broad_targets>
{NAT10}

> <broad_moa>
{"transferase inhibitor"}

> <synonyms>
{"Remodelin hydrobromide",1622921-15-6,1622921156,"Remodelin HBR","Remodelin (hydrobromide)","4-(2-(2-Cyclopentylidenehydrazinyl)-4-thiazolyl)benzonitrile Hydrobromide","4(2(2Cyclopentylidenehydraziny
l)4thiazolyl)benzonitrile Hydrobromide",C15H15BrN4S,C15H14N4S.BrH,AOB1653,EX-A516,EXA516,SYN5222,AMY10829,BCP19055,4002A,T6133}

> <pdid>
PD016396

> <targets>
{"acetyl-transferase NAT10"}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{86280479}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -11.6963   -0.7681    0.0000 O   0  0
  -13.0003    1.4796    0.0000 N   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -14.2938   -0.7728    0.0000 C   0  0
  -15.5902   -1.5272    0.0000 C   0  0
  -16.8919   -0.7817    0.0000 C   0  0
  -16.8971    0.7183    0.0000 C   0  0
  -15.6006    1.4727    0.0000 C   0  0
  -15.6059    2.9727    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13191

> <plate>
PLATE 003

> <well>
D11

> <supplier_cmpd_name>
PAOA

> <ctcr_id>
11471

> <supplier_cmpd_id>
T3206

> <smiles>
c1ccc(cc1)NC(=O)CCCCCC(=O)Nc1ccccc1N

> <pd_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Mitotic,"RNA Polymerase II Transcription","Disorders of Developmental Biology","M Phase","Generic Transcription Pathway","Disorders of Nervous S
ystem Development","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Pervasive developmental disorders","Mitotic Anaphase","Regulation of TP53 Activity","Loss of function of MECP2
 in Rett syndrome","Separation of Sister Chromatids","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DN
A"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{537034-15-4,537034154,"NKL 22",N-(2-AMINOPHENYL)-N'-PHENYLHEPTANEDIAMIDE,N(2AMINOPHENYL)N'PHENYLHEPTANEDIAMIDE,N1-(2-Aminophenyl)-N7-phenylheptanediamide,N1(2Aminophenyl)N7phenylheptanediamide,"Histo
ne Deacetylase Inhibitor IV","HDAC inhibitor IV",CHEMBL277805,NKL-22,NKL22,"VC-4154 (HDAC inhibitor IV)","VC4154 (HDAC inhibitor IV)",N'-(2-AMINOPHENYL)-N-PHENYLHEPTANEDIAMI,N'(2AMINOPHENYL)NPHENYLHEP
TANEDIAMI,T3204,T3206,BML-210,PAOA}

> <pdid>
PD012262

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{9543539}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -13.0029    2.9796    0.0000 O   0  0
  -14.2989    0.7273    0.0000 N   0  0
  -15.6002    1.4750    0.0000 C   0  0
  -15.6003    2.9751    0.0000 C   0  0
  -16.8994    3.7251    0.0000 C   0  0
  -18.1984    2.9750    0.0000 C   0  0
  -18.1984    1.4750    0.0000 C   0  0
  -16.8993    0.7251    0.0000 C   0  0
  -16.8993   -0.7749    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13192

> <plate>
PLATE 003

> <well>
E2

> <supplier_cmpd_name>
BML-210

> <ctcr_id>
11472

> <supplier_cmpd_id>
T3204

> <smiles>
c1ccc(cc1)NC(=O)CCCCCCC(=O)Nc1ccccc1N

> <pd_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Mitotic,"RNA Polymerase II Transcription","Disorders of Developmental Biology","M Phase","Generic Transcription Pathway","Disorders of Nervous S
ystem Development","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Pervasive developmental disorders","Mitotic Anaphase","Regulation of TP53 Activity","Loss of function of MECP2
 in Rett syndrome","Separation of Sister Chromatids","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DN
A"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ML-21,ML21,BML-210,BML210,537034-17-6,537034176,N1-(2-aminophenyl)-N8-phenyloctanediamide,N1(2aminophenyl)N8phenyloctanediamide,"BML 210",N-(2-aminophenyl)-N'-phenyl-octanediamide,N(2aminophenyl)N'ph
enyloctanediamide,CAY10433,BML-210(CAY10433),BML210(CAY10433),CHEBI:61077,"Octanediamide, N-(2-aminophenyl)-N'-phenyl-","Octanediamide, N(2aminophenyl)N'phenyl",CHEMBL324053,N-(2-aminophenyl)-N'-pheny
octanedia,N(2aminophenyl)N'phenyoctanedia}

> <pdid>
PD012262

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{9543540}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13193

> <plate>
PLATE 003

> <well>
E3

> <supplier_cmpd_name>
UF010

> <ctcr_id>
11473

> <supplier_cmpd_id>
T3205

> <smiles>
CCCCNNC(=O)c1ccc(cc1)Br

> <pd_targets>
{HDAC2,HDAC3,HDAC6,HDAC1,HDAC8,HDAC11,HDAC10}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Disorders of Developmental Biology",Mitotic,"Diseases of signal transduction by growth factor receptors and s
econd messengers","Generic Transcription Pathway","Disorders of Nervous System Development","M Phase","Signaling by NOTCH1 in Cancer","Transcriptional Regulation by TP53","Pervasive developmental diso
rders","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Regulation of TP53 Activity","Loss of function of MECP2 in Rett sy
ndrome","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability
 to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Separation of Sister Chromatids"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{UF010,537672-41-6,537672416,4-bromo-N'-butylbenzohydrazide,4bromoN'butylbenzohydrazide,"UF 010",UF-010,SR-01000010887,SR01000010887,CHEMBL4303643,SCHEMBL17141661,AOB5396,EX-A917,EXA917,BDBM163619,BCP
16853,ZINC2711885,MFCD03603083,NSC773315,s5810,AKOS002177817,CS-5227,CS5227,MCULE-2200281997,MCULE2200281997,NSC-773315,AK499434,AS-,AS,T3205}

> <pdid>
PD012273

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{4596836}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   19.1799   -8.3901    0.0000 C   0  0
   18.3019   -7.1739    0.0000 C   0  0
   18.9166   -5.8056    0.0000 C   0  0
   16.8087   -7.3253    0.0000 C   0  0
   16.1941   -8.6936    0.0000 O   0  0
   15.9303   -6.1084    0.0000 S   0  0
   14.4371   -6.2598    0.0000 C   0  0
   13.5586   -5.0430    0.0000 C   0  0
   12.0654   -5.1944    0.0000 C   0  0
   11.1870   -3.9775    0.0000 C   0  0
    9.6938   -4.1290    0.0000 C   0  0
    8.8153   -2.9121    0.0000 C   0  0
    7.3221   -3.0635    0.0000 C   0  0
    6.7075   -4.4318    0.0000 O   0  0
    6.4437   -1.8466    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13194

> <plate>
PLATE 003

> <well>
E4

> <supplier_cmpd_name>
PTACH

> <ctcr_id>
11474

> <supplier_cmpd_id>
T3199

> <smiles>
CC(C)C(=O)SCCCCCCC(=O)Nc1nc(cs1)c1ccccc1

> <pd_targets>
{STX1,RORC}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F me
mber 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PTACH,848354-66-5,848354665,"NCH 51",NCH-51,NCH51,"Cpd 51","S-(7-Oxo-7-((4-phenylthiazol-2-yl)amino)heptyl) 2-methylpropanethioate","S(7Oxo7((4phenylthiazol2yl)amino)heptyl) 2methylpropanethioate","S
-(7-Oxo-7-((4-phenylthiazol-2-yl)amino)-heptyl) 2-methylpropanethioate",MFCD08705329,"S-(6-(4-Phenyl-2-thiazolylcarbamoyl)hexyl) th","S(6(4Phenyl2thiazolylcarbamoyl)hexyl) th",T3199}

> <pdid>
PD040455

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{11395181}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5018    3.7420    0.0000 C   0  0
   -6.5068    5.2419    0.0000 O   0  0
   -7.7993    2.9876    0.0000 O   0  0
   -9.1010    3.7329    0.0000 C   0  0
   -1.3042    3.7556    0.0000 N   0  0
   -1.3088    5.2565    0.0000 C   0  0
   -2.6104    6.0021    0.0000 O   0  0
   -0.0119    6.0117    0.0000 C   0  0
   -0.0143    7.5117    0.0000 C   0  0
    1.2835    8.2639    0.0000 C   0  0
    2.5838    7.5160    0.0000 C   0  0
    2.5863    6.0160    0.0000 C   0  0
    1.2885    5.2639    0.0000 C   0  0
    1.2841    9.7647    0.0000 O   0  0
    2.5830   10.5150    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 23 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13195

> <plate>
PLATE 003

> <well>
E5

> <supplier_cmpd_name>
WDR5-0103

> <ctcr_id>
11532

> <supplier_cmpd_id>
T3201

> <smiles>
CN1CCN(CC1)c1c(cc(cc1)C(=O)OC)NC(=O)c1cc(ccc1)OC

> <pd_targets>
{WDR5}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{"Other protein targets","WD repeat-containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{WDR5}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{DR5010,WDR5-0103,WDR50103,890190-22-4,890190224,"WDR5 0103","Methyl 3-((3-methoxybenzoyl)amino)-4-(4-methylpiperazin-1-yl)benzoate","Methyl 3((3methoxybenzoyl)amino)4(4methylpiperazin1yl)benzoate","M
ethyl 3-(3-methoxybenzamido)-4-(4-methylpiperazin-1-yl)benzoate","Methyl 3(3methoxybenzamido)4(4methylpiperazin1yl)benzoate",CHEMBL3906778,"WD-Repeat Protein 5-0103","WDRepeat Protein 50103",SCHEMBL20
214096,EX-A918,EXA918,BCP2415,T3201}

> <pdid>
PD012264

> <targets>
{WDR5}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{6457069}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    7.7999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 O   0  0
   10.3992    0.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13196

> <plate>
PLATE 003

> <well>
E6

> <supplier_cmpd_name>
DMOG

> <ctcr_id>
11475

> <supplier_cmpd_id>
T1939

> <smiles>
COC(=O)CNC(=O)C(=O)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DMOG,89464-63-1,89464631,dimethyloxalylglycine,DIMETHYLOXALOYLGLYCINE,"Dimethyloxallyl glycine","methyl 2-((2-methoxy-2-oxoethyl)amino)-2-oxoacetate","methyl 2((2methoxy2oxoethyl)amino)2oxoacetate","
dimethyloxaloylglycine (dmog)","N-(2-Methoxy-2-oxoacetyl)glycine methyl ester","N(2Methoxy2oxoacetyl)glycine methyl ester",N-(methoxyoxoacetyl)-glycine,N(methoxyoxoacetyl)glycine,T1939}

> <pdid>
PD012514

> <targets>
{HIF-PH,Autophagy,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{560326}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 C   0  0
   -1.6226   -6.5037    0.0000 C   0  0
   -3.1149   -6.3519    0.0000 O   0  0
   -1.0080   -7.8729    0.0000 N   0  0
   -1.8857   -9.0903    0.0000 C   0  0  2  0  0  0
   -3.3785   -8.9354    0.0000 C   0  0
   -3.9912   -7.5662    0.0000 O   0  0
   -1.2711  -10.4596    0.0000 C   0  0
   -2.1465  -11.6776    0.0000 C   0  0
   -1.5295  -13.0448    0.0000 C   0  0
   -0.0369  -13.1940    0.0000 C   0  0
    0.8386  -11.9761    0.0000 C   0  0
    0.2215  -10.6089    0.0000 C   0  0
    2.3311  -12.1253    0.0000 Cl  0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 10 14  1  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 30 32  1  0
 19 33  1  0
 33 34  1  0
 34 17  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13197

> <plate>
PLATE 003

> <well>
E7

> <supplier_cmpd_name>
VX-11e

> <ctcr_id>
11476

> <supplier_cmpd_id>
T3166

> <smiles>
Cc1cnc(Nc2ccc(cc2Cl)F)nc1c1cc(C(=O)N[C@H](CO)c2cccc(c2)Cl)[nH]c1

> <pd_targets>
{CDK2,AURKA,MAPK1,FLT3,MAP3K7,MAPK10,ROCK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","TK protein kinase group","TKL protein kinase group","AGC protein kinase group","CMGC protein kinase CDK family
","Other protein kinase AUR family","CMGC protein kinase MAPK family","Tyrosine protein kinase PDGFR family","TKL protein kinase MLK family","AGC protein kinase DMPK family","CMGC protein kinase CDC2 
subfamily","CMGC protein kinase ERK1","TKL protein kinase TAK1 subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","Cyclin-dependent kinase (CD
K) family","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","DMPK family","CDK1 subfamily","Aurora kinase (Aur) family","ERK 
subfamily","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","JNK subfamily","Rho kinase","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Signal Transduction","Developmental Biology","RNA Polymerase II Transcription","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Nerv
ous system development","Generic Transcription Pathway","Toll-like Receptor Cascades","Signaling by Insulin receptor","Axon guidance","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) 
Cascade","Insulin receptor signalling cascade","Toll Like Receptor 4 (TLR4) Cascade","Semaphorin interactions","Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","IRS-mediated 
signalling","MyD88-independent TLR4 cascade","Sema4D in semaphorin signaling","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","MAP kinase activati
on","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinase
s","TRAF6-mediated induction of TAK1 complex within TLR4 complex","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{MAPK1}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{X11,VX-11e,VX11e,896720-20-0,896720200,VTX-11e,VTX11e,"VX 11e",NCGC00242487,Vertex-11e,Vertex11e,"TCS ERK 11e","pyrimidylpyrrole, 11e",C24H20Cl2FN5O2,CHEMBL583042,GTPL9375,SCHEMBL15859235,"VX-11e(TCS
 ERK 11e)","VX11e(TCS ERK 11e)",BDBM35657,CHEBI:95049,AOB6429,DTXSID00469774,EX-A1570,EXA1570,4157AH,s7709,ZINC3588,T3166}

> <pdid>
PD012648

> <targets>
{ERK,"Aurora A",CDK2,ERK2,FLT3,GSK-3}

> <classes>
{"Cell Cycle/Checkpoint","PI3K/Akt/mTOR signaling",Angiogenesis,MAPK,Chromatin/Epigenetic,"Stem Cells","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{11634725}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -5.2002    6.0029    0.0000 S   0  0
   -5.2012    7.5037    0.0000 S   0  0
   -6.5009    8.2541    0.0000 C   0  0
   -6.5019    9.7549    0.0000 C   0  0
   -7.8017   10.5053    0.0000 N   0  0
   -7.8026   12.0061    0.0000 S   0  0
   -6.5038   12.7566    0.0000 O   0  0
   -6.5032   11.2568    0.0000 O   0  0
   -9.1024   12.7566    0.0000 C   0  0
  -10.4014   12.0065    0.0000 C   0  0
  -11.7004   12.7565    0.0000 C   0  0
  -11.7005   14.2565    0.0000 C   0  0
  -10.4014   15.0065    0.0000 C   0  0
   -9.1024   14.2566    0.0000 C   0  0
  -10.4014   16.5065    0.0000 Cl  0  0
  -10.4014   10.5065    0.0000 Cl  0  0
    0.0000    3.0000    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 26 28  1  0
 23 29  1  0
  3 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13198

> <plate>
PLATE 003

> <well>
E8

> <supplier_cmpd_name>
KC7F2

> <ctcr_id>
11757

> <supplier_cmpd_id>
T3169

> <smiles>
c1cc(c(cc1Cl)S(=O)(=O)NCCSSCCNS(=O)(=O)c1c(ccc(c1)Cl)Cl)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KC7f2,927822-86-4,927822864,UNII-94C2DMM81L,UNII94C2DMM81L,"N,N'-(disulfanediylbis(ethane-2,1-diyl))bis(2,5-dichlorobenzenesulfonamide)","N,N'(disulfanediylbis(ethane2,1diyl))bis(2,5dichlorobenzenesu
lfonamide)",94C2DMM81L,"N,N'-(Dithiodi-2,1-ethanediyl)bis(2,5-dichloro-benzenesulfonamide","N,N'(Dithiodi2,1ethanediyl)bis(2,5dichlorobenzenesulfonamide",SCHEMBL14063613,AOB3033,BCP16036,EX-A1116,EXA1
116,MFCD22683809,N,T3169,KC7F2}

> <pdid>
PD012280

> <targets>
{HIF-1¦Á,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{16047442}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 C   0  0
    7.7931   -3.0140    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 10  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13199

> <plate>
PLATE 003

> <well>
E9

> <supplier_cmpd_name>
MN-64

> <ctcr_id>
11599

> <supplier_cmpd_id>
T3168

> <smiles>
CC(C)c1ccc(cc1)c1cc(=O)c2ccccc2o1

> <pd_targets>
{PARP2,PARP1,TNKS2,TNKS}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"DNA Repair",Disease,"Signal Transduction","Base Excision Repair","Infectious disease","Intracellular signaling by second messengers","Resolution of Abasic Sites (AP sites)","Influenza Infection","PI
P3 activates AKT signaling","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Influenza Viral RNA Transcription and Replication","PTEN Regulation","POLB-Dependent Long Pa
tch Base Excision Repair","vRNA Synthesis","Regulation of PTEN stability and activity"}

> <broad_targets>
{TNKS}

> <broad_moa>
{"tankyrase inhibitor"}

> <synonyms>
{N6,mn-64,mn64,92831-11-3,92831113,"MN 64",4'-Isopropylflavone,4'Isopropylflavone,2-(4-Isopropylpheny)-4H-chroMen-4-one,2(4Isopropylpheny)4HchroMen4one,2-(4-propan-2-ylphenyl)chromen-4-one,2(4propan2y
lphenyl)chromen4one,CHEMBL2431867,2-(4-(1-Methylethyl)phenyl)-4H-1-benzopyran-4-one,2(4(1Methylethyl)phenyl)4H1benzopyran4one,2-(4-(propan-2-yl)phenyl)-4H-chromen-4-one,2(4(propan2yl)phenyl)4Hchromen4
one,Bio2B2,4bs4,2-(4-isopr,2(4isopr,T3168,MN-64}

> <pdid>
PD012261

> <targets>
{Tankyrase}

> <classes>
{Others}

> <pubchem_cids>
{2802462}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -11.6963   -0.7681    0.0000 O   0  0
  -13.0003    1.4796    0.0000 N   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -14.2938   -0.7728    0.0000 C   0  0
  -15.5902   -1.5272    0.0000 C   0  0
  -16.8919   -0.7817    0.0000 C   0  0
  -16.8971    0.7183    0.0000 C   0  0
  -15.6006    1.4727    0.0000 C   0  0
  -15.6059    2.9727    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13200

> <plate>
PLATE 003

> <well>
E10

> <supplier_cmpd_name>
Pimelic diphenylamide 106

> <ctcr_id>
11477

> <supplier_cmpd_id>
T3193

> <smiles>
Cc1ccc(cc1)NC(=O)CCCCCC(=O)Nc1ccccc1N

> <pd_targets>
{HDAC1,HDAC2,HDAC10,HDAC3}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Di
sorders of Nervous System Development","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Pervasive developmental disorders","Transcriptional Regulation by TP53","Signaling by NOTCH1 HD+
PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5m
C-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{"Pimelic Diphenylamide 106","TC-H 106","TCH 106",937039-45-7,937039457,N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide,N'(2aminophenyl)N(4methylphenyl)heptanediamide,N1-(2-aminophenyl)-N7-(4-meth
ylphenyl)-heptanediamide,N1(2aminophenyl)N7(4methylphenyl)heptanediamide,"RGFA-8;TC-H 106;Histone Deacetylase Inhibitor VII","RGFA8;TCH 106;Histone Deacetylase Inhibitor VII",RGFA-8,RGFA8,SCHEMBL1065,
T3193,"Pimelic diphenylamide 106"}

> <pdid>
PD012256

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,DNA Damage/DNA Repair,NF-¦ªb,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{16070100}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 O   0  0
   -5.1969    1.4963    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -3.8943   -0.7516    0.0000 O   0  0
   -6.4954    0.7438    0.0000 C   0  0
   -7.7969    1.4897    0.0000 C   0  0
   -9.0936    0.7355    0.0000 C   0  0
   -9.0888   -0.7645    0.0000 C   0  0
   -7.7874   -1.5103    0.0000 C   0  0
   -6.4907   -0.7562    0.0000 C   0  0
   -3.9069    5.2492    0.0000 C   0  0
   -2.6104    6.0035    0.0000 O   0  0
   -5.2089    5.9957    0.0000 N   0  0
   -5.2144    7.4965    0.0000 C   0  0
   -6.5164    8.2430    0.0000 C   0  0
   -6.5219    9.7430    0.0000 O   0  0
   -7.8130    7.4886    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14  7  1  0
 14 15  2  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 10 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13201

> <plate>
PLATE 003

> <well>
E11

> <supplier_cmpd_name>
Daprodustat

> <ctcr_id>
11758

> <supplier_cmpd_id>
T3197

> <smiles>
C1CCC(CC1)N1C(=O)C(C(=O)N(C1=O)C1CCCCC1)C(=O)NCC(=O)O

> <pd_targets>
{EGLN1,EGLN2,EGLN3,P4HTM,HIF1AN,OGFOD1,A085R}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Daprodustat,960539-70-2,960539702,GSK1278863,GSK-1278863,UNII-JVR38ZM64B,UNIIJVR38ZM64B,JVR38ZM64B,"N-((1,3-Dicyclohexylhexahydro-2,4,6-trioxopyrimidin-5-yl)carbonyl)glycine","N((1,3Dicyclohexylhexah
ydro2,4,6trioxopyrimidin5yl)carbonyl)glycine","2-((1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido)acetic acid","2((1,3dicyclohexyl2,4,6trioxo1,3diazinan5yl)formamido)acetic acid",(1,3-dicyc
lohexy,3dicyclohexy,T3197}

> <pdid>
PD050025

> <targets>
{HIF-PH,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{91617630}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5923    1.5001    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7980   -1.4850    0.0000 C   0  0
    9.0957   -0.7328    0.0000 O   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1018   -3.7344    0.0000 C   0  0
   10.4019   -4.4826    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  6
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 10  1  0
 18 14  2  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13202

> <plate>
PLATE 003

> <well>
F2

> <supplier_cmpd_name>
Tofacitinib

> <ctcr_id>
7403

> <supplier_cmpd_id>
T6321

> <smiles>
C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N

> <pd_targets>
{RPS6KA1,ULK3,CAMK2A,CAMK2D,JAK1,TYK2,JAK3,PKN1,JAK2,ROCK2,RPS6KA6,PRKCD,NUAK2,TNK1,CAMK1,ABL1,MAP4K2,DCLK3,RPS6KA2,FYN,LCK,PKNB,LRRK2,STK3,MKNK2,PKN2,GRK7,DMPK,DCLK1,CAMK1D,RET,ROCK1,BMP2K}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","Other protein kinase group","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","TKL protein kinase group","AGC
 protein kinase RSK family","Other protein kinase ULK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase JakA family","AGC protein kinase PKN family","AGC protein kinase DMPK family",
"AGC protein kinase PKC family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Abl family","STE protein kinase STE20 family","CAMK protein kinase DCAM
K1 family","Tyrosine protein kinase Src family","TKL protein kinase LRRK family","CAMK protein kinase MAPKAPK family","AGC protein kinase GRK family","Tyrosine protein kinase Ret family","Other protei
n kinase NAK family","AGC protein kinase RSK subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase NuaK subfamily","STE protein kinase KHS subfam
ily","Tyrosine protein kinase SrcA","STE protein kinase MST subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase GRK subfamily","AGC protein kinase GEK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","RSK family","Other protein kinases","CAMK2 family","TK: Tyrosine kinase","Protein kinase N (PKN) family","DMPK family","Protein kinase C (PKC) family","C
AMK-like (CAMKL) family","CAMK1 family","STE20 family","DCAMKL family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","G protein-coupled receptor kinases (GRKs)","RSK sub
family","Unc-51-like kinase (ULK) family","Non-receptor tyrosine kinases (nRTKs)","Rho kinase","Delta subfamily","NuaK subfamily","KHS subfamily","Leucine-rich repeat kinase (LRRK) family","MST subfam
ily","MKN subfamily","Opsin/rhodopsin kinases","GEK subfamily","Receptor tyrosine kinases (RTKs)","Numb-associated kinase (NAK) family","Janus kinase (JakA) family","Ack family","Abl family","Src fami
ly","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Neuronal System","Cell Cycle","Developmental Biology",Disease,"Muscle contraction","Innate Immune System","Signaling by Hedgehog","Transmission across Chemical 
Synapses","Cytokine Signaling in Immune system","Signaling by Rho GTPases",Mitotic,"Nervous system development","Intracellular signaling by second messengers","Infectious disease","Signaling by Non-Re
ceptor Tyrosine Kinases","Signaling by Hippo","Signaling by GPCR","Cardiac conduction","Toll-like Receptor Cascades","Hedgehog 'on' state","Neurotransmitter receptors and postsynaptic signal transmiss
ion","Interferon Signaling","Signaling by Interleukins","RHO GTPase Effectors","Mitotic G1 phase and G1/S transition","Axon guidance","DAG and IP3 signaling","Leishmania infection","HIV Infection","Si
gnaling by PTK6","GPCR downstream signalling","Ion homeostasis","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Antiviral mechanism by IFN-stimulated gene
s","Interferon alpha/beta signaling","Interleukin-2 family signaling","RHO GTPases activate PKNs","G1 Phase","Semaphorin interactions","CaM pathway","Parasite infection","Host Interactions of HIV fact
ors","PTK6 promotes HIF1A stabilization","G alpha (i) signalling events","RET signaling","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","ISG15 antiviral mechanism"
,"Regulation of IFNA signaling","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Cyclin D associated events in G1","Sema4D 
in semaphorin signaling","Calmodulin induced events","Leishmania phagocytosis","The role of Nef in HIV-1 replication and disease pathogenesis","Visual phototransduction","MAP kinase activation","CREB1
 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Sema4D induced cell migration and growth-cone collapse","Activation of RAC1 downstream of NMDARs","FCGR3A-mediated phagocy
tosis","Nef and signal transduction","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","The phototransduction cascade","MAPK targets/ Nuclear events medi
ated by MAP kinases","Ras activation upon Ca2+ influx through NMDA receptor","RSK activation","Nef Mediated CD4 Down-regulation",Inactivation,"recovery and regulation of the phototransduction cascade"
,"CREB phosphorylation"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{EX-A205,EXA205,BCPP000274,Tofacitinib,Tasocitinib,477600-75-2,477600752,CP-690550,CP690550,"CP 690550",racemic-tofacitinib,racemictofacitinib,1259404-17-5,1259404175,rac-Tofacitinib,racTofacitinib,"C
P-690,550","CP690,550","Tofacitinib (CP-690550,Tasocitinib)","Tofacitinib (CP690550,Tasocitinib)",UNII-87LA6FU830,UNII87LA6FU830,CHEMBL221959,CHEBI:71200,87LA6FU830,"477600-75-2 (free b","477600752 (f
ree b",S2789}

> <pdid>
PD003234

> <targets>
{JAK3,JAK}

> <classes>
{}

> <pubchem_cids>
{9926791}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
    7.0435   -7.0231    0.0000 C   0  0
    6.2930   -8.3219    0.0000 C   0  0
    4.7922   -8.3224    0.0000 O   0  0
    4.0413   -9.6219    0.0000 C   0  0
    4.7913  -10.9209    0.0000 O   0  0
    2.5405   -9.6223    0.0000 C   0  0  2  0  0  0
    1.7882  -10.9210    0.0000 C   0  0
    2.5359  -12.2223    0.0000 C   0  0
    1.7837  -13.5210    0.0000 C   0  0
    2.5291  -14.8227    0.0000 C   0  0
    1.7746  -16.1191    0.0000 C   0  0
    0.2746  -16.1139    0.0000 C   0  0
   -0.4709  -14.8122    0.0000 C   0  0
    0.2836  -13.5158    0.0000 C   0  0
    1.7928   -8.3210    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0  1  0  0  0
    3.5451   -7.0241    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5497   -4.4224    0.0000 N   0  0
    4.0505   -4.4281    0.0000 C   0  0
    4.7968   -5.7302    0.0000 C   0  0
    6.2967   -5.7359    0.0000 O   0  0
    4.2937   -6.5945    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    9.5439   -7.3095    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 20 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
 33 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13203

> <plate>
PLATE 003

> <well>
F3

> <supplier_cmpd_name>
Delapril Hydrochloride

> <ctcr_id>
11230

> <supplier_cmpd_id>
T3281

> <smiles>
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{"delapril hydrochloride","Delapril HCl",83435-67-0,83435670,"REV 6000A",UNII-2SMM3M5ZMH,UNII2SMM3M5ZMH,2SMM3M5ZMH,CV-3317,CV3317,"Delapril (hydrochloride)","CV 3317","CCRIS 1925","Delapril hydrochlor
ide (USAN:JAN)",NCGC00181755-01,NCGC0018175501,Cupressin,Delaket,Adecut,C26H32N,T3281,Delapril Hydrochloride}

> <pdid>
PD014193

> <targets>
{ACE}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{5362115}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0998    0.7500    0.0000 C   0  0
   23.3991    1.4996    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  3  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13204

> <plate>
PLATE 003

> <well>
F4

> <supplier_cmpd_name>
Parthenolide

> <ctcr_id>
8275

> <supplier_cmpd_id>
T2140

> <smiles>
OC(=O)CCCCCCCCCCCCCCCC#C

> <pd_targets>
{CYP2D6,CYP2C19,CYP2C9,MAPT,CYP1A2,HSD17B10,CYP4F2,LEF}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Cytochrome P450",Oxidoreductase,Protease,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 4","Metallo protease","Cytochrome P450 family 
2D","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 4F","Metallo protease MAE clan","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 
1A1","Cytochrome P450 4F2","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family","CYP4 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Biological oxidations","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","Infectious disease","Phase I - Functionalization of c
ompounds","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","Cytochrome P450 - arranged by substrate typ
e","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins",Xenobiotics,"Post NMDA receptor activation events",Eicosanoids,"CYP2E1 reactions","Activation of AMPK 
downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"7OCTADECYNOIC ACI","17-octadecynoic acid","17octadecynoic acid",34450-18-5,34450185,"Octadec-17-ynoic acid","Octadec17ynoic acid","Alkynyl Stearic Acid",17-ODYA,17ODYA,MFCD00077382,17-OCTADECYNOICAC
ID,17OCTADECYNOICACID,SR-01000597622,SR01000597622,Tocris-0607,Tocris0607,"17-octadecyn-1-oic acid","17octadecyn1oic acid",CBiol_001996,CBiol001996,CBiol-001996,"CBiol 001996",BSPBio_001367,BSPBio0013
67,BSPBio-001367,"BSPBio 001367",KBioGR_000087,KBioGR000087,KBioGR-000087,"KBioGR 000087",KBioSS_000087,KBioSS000087,KBioSS-000087,"KBioSS 000087",SC,90270,parthenolide}

> <pdid>
PD020042

> <targets>
{Apoptosis,Autophagy,Mitophagy,NF-ºB}

> <classes>
{Apoptosis,Autophagy,NF-ºB}

> <pubchem_cids>
{1449}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 44 47  0  0  1  0            999 V2000
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0
    3.8964   -0.7545    0.0000 O   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    7.8003    1.4887    0.0000 C   0  0
    9.0994    0.7388    0.0000 C   0  0
   10.3984    1.4888    0.0000 C   0  0
   11.6975    0.7387    0.0000 O   0  0
   10.3985    2.9888    0.0000 C   0  0
   11.6975    3.7387    0.0000 O   0  0
    9.0994    3.7388    0.0000 C   0  0
    7.8004    2.9888    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -7.8007   -1.4864    0.0000 C   0  0
   -9.0971   -0.7319    0.0000 C   0  0
   -9.0919    0.7681    0.0000 C   0  0
   -7.7903    1.5136    0.0000 C   0  0
   -6.4939    0.7591    0.0000 C   0  0
   -7.7851    3.0136    0.0000 O   0  0
  -10.3884    1.5225    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0  1  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  9  1  0
  3 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 27 29  1  0
 26 30  1  0
 19 31  1  0
 31  2  1  0
 31 32  1  1
 17 33  1  6
 33 34  1  0
 35  1  1  1
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  1
 38 40  1  0
 40 41  1  6
 40 42  1  0
 42 35  1  0
 42 43  1  6
 37 44  1  6
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13205

> <plate>
PLATE 003

> <well>
F5

> <supplier_cmpd_name>
Verbascoside

> <ctcr_id>
11602

> <supplier_cmpd_id>
T3375

> <smiles>
O([C@H]1[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)[C@H](O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]1O)CO)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C

> <pd_targets>
{PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCQ,PRKCZ,L3MBTL1,REP,PTGS2,POL}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,Transferase,Oxidoreductase,Hydrolase,"Protein Kinase","Methyl-lysine/arginine binding protein","AGC protein kinase group","MBT domain","AGC protein kinase 
PKC family","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Viral protein targets",Cyclooxygenase,"AGC: Containing PKA",PKG,"PKC families","Coronavirus (CoV
) proteins","Protein kinase C (PKC) family","Delta subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Signaling by GPCR","Generic Transcription Pat
hway","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Transcriptional Regulation by TP53","SARS-CoV-2 Infection","Biosynthesis of DPA-de
rived SPMs","G alpha (i) signalling events","Regulation of TP53 Activity","SARS-CoV-2 Genome Replication and Transcription","Biosynthesis of DPAn-3 SPMs","Visual phototransduction","Regulation of TP53
 Activity through Methylation","Replication of the SARS-CoV-2 genome","The phototransduction cascade",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
{}

> <broad_moa>
{"NFkB pathway inhibitor","PKC inhibitor"}

> <synonyms>
{Acteoside,Verbascoside,61276-17-3,61276173,Kusaginin,Verbacoside,"TJC 160",UNII-3TGX09BD5B,UNII3TGX09BD5B,acetoside,"NSC 603831",3TGX09BD5B,Verbacoside;,Acteoside;,MFCD00221751,MLS002473233,SCHEMBL65
7970,CHEBI:9953,CHEMBL231853,CHEMBL444478,cid_5281800,cid5281800,cid-5281800,"cid 5281800",T3375}

> <pdid>
PD012066

> <targets>
{"Immunology & Inflammation related",p53,PARP1,PKC,Apoptosis,Bacterial,HSV}

> <classes>
{Chromatin/Epigenetic,Apoptosis,Cytoskeletal Signaling,DNA Damage/DNA Repair,Anti-infection,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{5281800}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   -0.2290   -5.5067    0.0000 C   0  0
   -0.6913   -4.0797    0.0000 C   0  0
   -2.1584   -3.7671    0.0000 C   0  0
   -1.6957   -5.1937    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    8.1957   -0.1733    0.0000 Cl  0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  5  1  0
 21 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13206

> <plate>
PLATE 003

> <well>
F6

> <supplier_cmpd_name>
PP2

> <ctcr_id>
4439

> <supplier_cmpd_id>
T6266

> <smiles>
CC(C)(C)n1nc(c2ccc(Cl)cc2)c3c(N)ncnc13

> <pd_targets>
{RPL19A,SRC,APE1,LCK,EPHB2,FYN,SMN1,MAP2K2,TNK2,SIK2,ACVR1,HCK,RIPK2,CSK,ABL1,MAPK14,MAPK9,CYP2C19,CLK4,MELK,MAP2K1,PDGFRA,CSNK1D,PRKACA,MAPK8,CSNK1A1,BTK,CDK8,EGFR,CYP2C9,CYP1A2,CDK5,MAPK10,KDR,PDGFR
B,DAPK3}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator",Kinase,Protease,Reader,"Cytochrome P450","Protein Kinase","Metallo protease","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","
Cytochrome P450 family 1","TK protein kinase group","Metallo protease MH clan","Tudor domain","STE protein kinase group","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase gro
up","Cytochrome P450 family 2C","CK1 protein kinase group","AGC protein kinase group","Cytochrome P450 family 1A","Tyrosine protein kinase Src family","Metallo protease M18 family","Tyrosine protein k
inase Eph family","STE protein kinase STE7 family","Tyrosine protein kinase Ack family","CAMK protein kinase CAMK1 family","TKL protein kinase STKR family","TKL protein kinase RIPK family","Tyrosine p
rotein kinase Csk family","Tyrosine protein kinase Abl family","CMGC protein kinase MAPK family","Cytochrome P450 2C19","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR family","CK1 pro
tein kinase CK1 family","AGC protein kinase PKA family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","Tyrosine protein kinase EGFR family","Cytochrome P450 2C9","Cytochrome P4
50 1A1","Tyrosine protein kinase VEGFR family","CAMK protein kinase DAPK family","Tyrosine protein kinase SrcA","CAMK protein kinase QIK subfamily","TKL protein kinase STKR1","CMGC protein kinase p38 
subfamily","CMGC protein kinase JNK subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK5 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-depe
ndent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","CYP1 family","TK: Tyrosi
ne kinase","STE7 family","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","CLK family","Casein kinase 1 (CK1) family","Protein kinase A (PKA) fa
mily","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","QIK subfamily","Receptor serine/threoni
ne kinase (RSTK) family","Receptor interacting protein kinase (RIPK) family","p38 subfamily","JNK subfamily","MELK subfamily","CDK8 subfamily","CDK5 subfamily","Src family","Type XIII RTKs: Ephrin rec
eptor family","Ack family","Type I receptor serine/threonine kinases","Csk family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Tec family","Type I RTKs: ErbB (epidermal growth
 factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Metabolism of RNA","Immune System",Metabolism,"Cell Cycle","Gene expression (Transcription)","Programmed Cell Death","Signaling by Receptor Tyro
sine Kinases","Infectious disease","Nervous system development","Metabolism of non-coding RNA","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers"
,"Biological oxidations",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Intracellular signaling by second messengers",Apoptosis,"Signaling by NTRKs","HIV Infection","Axon guidance","sn
RNP Assembly","Toll-like Receptor Cascades","Oncogenic MAPK signaling","Leishmania infection","Phase I - Functionalization of compounds","Signaling by PDGFR in disease","Mitotic G2-G2/M phases","Signa
ling by WNT in cancer","Signaling by NOTCH1 in Cancer","GPCR downstream signalling","Generic Transcription Pathway","Signaling by VEGF","PIP3 activates AKT signaling","Caspase activation via extrinsic
 apoptotic signalling pathway","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","EPH-Ephrin signaling","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Parasite infectio
n","Cytochrome P450 - arranged by substrate type","Drug resistance of PDGFR mutants","G2/M Transition","Signaling by AMER1 mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G alpha (q) 
signalling events","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Negative regulation of the PI3K/AKT network","Caspase activation via Dependence Receptors in the absence of ligand","Sig
nalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","EPHB-mediated forward signaling","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS mutants","L
eishmania phagocytosis",Xenobiotics,"Imatinib-resistant PDGFR mutants","Centrosome maturation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 HD+PEST Doma
in Mutants","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to RAS","
Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signal transduction","Prolonged ERK activation events","MAP kinase activation","FCGR3A-mediated
 phagocytosis","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","EGFR Transactivation by Gastrin","Aromatic amines can be N-hydroxylated or N-
dealkylated by CYP1A2","Regulation of TP53 Activity through Phosphorylation","p38MAPK events","Nef Mediated CD4 Down-regulation","Frs2-mediated activation","activated TAK1 mediates p38 MAPK activation
","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,LCK,RIPK2,SRC}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{172889-27-9,172889279,pp2,"PP 2","1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1(tertbutyl)3(4chlorophenyl)1Hpyrazolo(3,4d)pyrimidin4amine","AG 1879","1-tert-butyl-3-(4-chl
orophenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1tertbutyl3(4chlorophenyl)1Hpyrazolo(3,4d)pyrimidin4amine","1-tert-butyl-3-(4-chlorophenyl)pyrazolo(3,4-d)pyrimidin-4-amine","1tertbutyl3(4chlorophenyl
)pyrazolo(3,4d)pyrimidin4amine","AGL 1879",T6266,EI-297,1407,S7008,PP2}

> <pdid>
PD010654

> <targets>
{Src,"Src family"}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{4878}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
   -9.5055   -3.7709    0.0000 C   0  0
   -8.0474   -3.4190    0.0000 N   0  0
   -7.6236   -1.9801    0.0000 C   0  0
   -7.0123   -4.5057    0.0000 C   0  0
   -5.5533   -4.1536    0.0000 C   0  0
   -4.5172   -5.2383    0.0000 C   0  0
   -3.0598   -4.8833    0.0000 C   0  0
   -2.6408   -3.4482    0.0000 C   0  0
   -3.6746   -2.3590    0.0000 C   0  0
   -5.1320   -2.7140    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 C   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    2.7062   -3.2328    0.0000 C   0  0
    3.6761   -2.0885    0.0000 C   0  0
    3.1701   -0.6764    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 11  1  0
 23 24  1  0
 24 13  1  0
 24 17  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13207

> <plate>
PLATE 003

> <well>
F7

> <supplier_cmpd_name>
AG-14361

> <ctcr_id>
751

> <supplier_cmpd_id>
T6339

> <smiles>
CN(C)Cc1ccc(cc1)c2nc3cccc4C(=O)NCCn2c34

> <pd_targets>
{PARP1,GSK3B}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase GSK family"}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases","Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycogen synthase kinase (GSK) family","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","Influenza Infection","SARS-CoV Infections","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 Infection","vRNA Synthesis","SARS-CoV-1 Genome Replication and
 Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{AG14361,328543-09-5,328543095,AG-14361,UNII-48N0U0K50I,UNII48N0U0K50I,"AG 14361",CHEMBL65892,48N0U0K50I,AG-014361,AG014361,SMR000486393,cc-486,cc486,MLS001065917,MLS006011157,GTPL8094,SCHEMBL6196282,
CHEBI:92015,cid_9840076,cid9840076,cid-9840076,"cid 9840076",DTXSID80186513,TBI-361,TBI361,HMS2210M16,HMS3349J15,HMS3655J06,BCP02449,E,T6339,S2178}

> <pdid>
PD010840

> <targets>
{PARP}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{9840076}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 38  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.7390   -2.9810    0.0000 C   0  0
   -4.2067   -3.2906    0.0000 C   0  0
   -4.8189   -4.6599    0.0000 O   0  0
   -4.9546   -1.9904    0.0000 N   0  0
   -3.9491   -0.8772    0.0000 C   0  0
   -4.2500    0.5923    0.0000 O   0  0
   -1.6193   -3.9804    0.0000 C   0  0
   -0.2027   -3.5242    0.0000 C   0  0
    0.6571   -4.7533    0.0000 N   0  0
   -0.2458   -5.9501    0.0000 C   0  0
    0.0398   -7.4227    0.0000 C   0  0
   -1.0927   -8.4063    0.0000 C   0  0
   -2.5108   -7.9173    0.0000 C   0  0
   -2.7963   -6.4448    0.0000 C   0  0
   -1.6639   -5.4612    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17  8  1  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 19 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 25  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13208

> <plate>
PLATE 003

> <well>
F8

> <supplier_cmpd_name>
Sotrastaurin

> <ctcr_id>
4215

> <supplier_cmpd_id>
T6278

> <smiles>
CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6ccccc56

> <pd_targets>
{PTK2,AKT1,PKN2,PRKCB,PRKCA,KDR,JAK1,AXL,MST1R,BRSK1,RPS6KB1,PRKCD,FLT4,PDK1,PRKCZ,PRKCH,PRKCE,CCNA1,CCNA2,CDK2,CAMK2A,GSK3A,PIM1,PRKCI,FER,MAP4K5,CYP3A4,CAMK2D,GSK3B,PRKCQ,PRKAA1,MARK3,JAK3,FYN,ERBB2
,TAOK1,PIM3,DYRK3,CDK1,GRK5,PDGFRB,CAMK2B,SLK,PLK1,PRKG1,MAP4K4,STK3,AKT2,CDK5,MINK1,PRKCG,CAMK1D,RPS6KA3,SGK2,CAMK2G,LRRK2,PIM2,PDPK1,ABL1,EGFR,MAP2K1,LTK,PRKD1,PRKD3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","TK protein kinase group","AGC protein kinase group","CAMK protein kinase group","Atypical protein kinase group","CMGC prot
ein kinase group","STE protein kinase group","Cytochrome P450 family 3A","Other protein kinase group","TKL protein kinase group","Tyrosine protein kinase Fak family","AGC protein kinase AKT family","A
GC protein kinase PKN family","AGC protein kinase PKC family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Axl family","Tyrosine protein kinase
 Met family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK family","Atypical protein kinase PDHK subfamily","CMGC protein kinase CDK family","CAMK protein kinase CAMK2 family","CMGC prote
in kinase GSK family","CAMK protein kinase PIM family","Tyrosine protein kinase Fer family","STE protein kinase STE20 family","Cytochrome P450 3A4","Tyrosine protein kinase Src family","Tyrosine prote
in kinase EGFR family","CMGC protein kinase DYRK family","AGC protein kinase GRK family","Tyrosine protein kinase PDGFR family","Other protein kinase PLK family","AGC protein kinase PKG family","AGC p
rotein kinase SGK family","TKL protein kinase LRRK family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Abl family","STE protein kinase STE7 family","Tyrosine protein kinase Alk family
","AGC protein kinase PKC alpha subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC iota subfamily","AGC
 protein kinase PKC eta subfamily","CMGC protein kinase CDC2 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase AMPK subfamily","CAMK protein kinase MARK subfamily","Tyrosine protein k
inase SrcA","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase GRK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","STE prote
in kinase MST subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases",Atypi
cal,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CYP3 family","TK: Tyrosine kinase","Akt (Protein kinase B","PKB) family","Prot
ein kinase N (PKN) family","Protein kinase C (PKC) family","CAMK-like (CAMKL) family","RSK family","PDHK family","CAMK2 family","Glycogen synthase kinase (GSK) family","PIM family","STE20 family","Dua
l-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","G protein-coupled receptor kinases (GRKs)","Other protein kinases","Protein kinase G 
(PKG) family","CAMK1 family","SGK family","TKL: Tyrosine kinase-like","PDK1 family","STE7 family","Non-receptor tyrosine kinases (nRTKs)","Alpha subfamily","Delta subfamily","Receptor tyrosine kinases
 (RTKs)","BRSK subfamily","p70 subfamily","Iota subfamily","Eta subfamily","GSK subfamily","KHS subfamily","AMPK subfamily","MARK subfamily","TAO subfamily","Dyrk2 subfamily","CDK1 subfamily","GRK4 su
bfamily","SLK subfamily","Polo-like kinase (PLK) family","MSN subfamily","MST subfamily","CDK5 subfamily","RSK subfamily","Leucine-rich repeat kinase (LRRK) family","Fak family","Type IV RTKs: VEGF (v
ascular endothelial growth factor) receptor family","Janus kinase (JakA) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor fa
mily","Fer family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type XIX RTKs: Leukocyte tyrosine kin
ase (LTK) receptor family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Signal Transduction","Cell Cycle","Immune System",Metabolism,"Neuronal System","Developmental Biology",Hemostasis,"Cellular responses to external stimuli","
Transport of small molecules","Infectious disease","RNA Polymerase II Transcription","Signaling by Rho GTPases",Mitotic,"Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling
 in Immune system","MTOR signalling","Intracellular signaling by second messengers","The citric acid (TCA) cycle and respiratory electron transport","Signaling by Nuclear Receptors","Innate Immune Sys
tem","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Death Receptor Signalling","Metabolism of lipids","Nervous system devel
opment","Platelet homeostasis","Cellular responses to stress","Signaling by Hippo","Ion channel transport","Signaling by Non-Receptor Tyrosine Kinases","Leishmania infection","Generic Transcription Pa
thway","RHO GTPase Effectors","M Phase","GPCR downstream signalling","Signaling by VEGF","Interferon Signaling","Signaling by MST1","mTORC1-mediated signalling","DAG and IP3 signaling","Pyruvate metab
olism and Citric Acid (TCA) cycle","ESR-mediated signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","FL
T3 signaling in disease","p75 NTR receptor-mediated signalling","Signaling by SCF-KIT","Biosynthesis of specialized proresolving mediators (SPMs)","Oncogenic MAPK signaling","Signaling by Interleukins
","HIV Infection","Axon guidance","Regulation of mitotic cell cycle","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Nitric oxide stimulates guanylate cyclase","Cellular Senescence","Signalin
g by Insulin receptor","Toll-like Receptor Cascades","Stimuli-sensing channels","Signaling by PTK6","Signaling by NTRKs","Parasite infection","Transcriptional Regulation by TP53","RHO GTPases activate
 PKNs","Mitotic Prophase","G alpha (i) signalling events","VEGFA-VEGFR2 Pathway","Antiviral mechanism by IFN-stimulated genes","CaM pathway","VEGF ligand-receptor interactions","Pyruvate metabolism","
Extra-nuclear estrogen signaling","G alpha (z) signalling events","Role of phospholipids in phagocytosis","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Signaling by FL
T3 ITD and TKD mutants","p75NTR signals via NF-kB","Biosynthesis of DHA-derived SPMs","Signaling by RAS mutants","Interleukin-2 family signaling","Host Interactions of HIV factors","Semaphorin interac
tions","Mitotic Metaphase and Anaphase","APC/C-mediated degradation of cell cycle proteins","G alpha (q) signalling events","Negative regulation of the PI3K/AKT network","G2/M Transition","cGMP effect
s","Oxidative Stress Induced Senescence","Insulin receptor signalling cascade","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Toll Like Receptor 5 (TLR5) Cascade","PTK6 pr
omotes HIF1A stabilization","Signaling by NTRK1 (TRKA)","Leishmania phagocytosis","Regulation of TP53 Activity","Nuclear Envelope Breakdown","Visual phototransduction","VEGFR2 mediated cell proliferat
ion","ISG15 antiviral mechanism","Calmodulin induced events","VEGF binds to VEGFR leading to receptor dimerization","Regulation of pyruvate dehydrogenase (PDH) complex","Estrogen-stimulated signaling 
through PRKCZ","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","STAT5 activation downstream of FLT3 ITD mutants","p75NTR recruits signalling complexes","Biosyn
thesis of maresins","Signaling downstream of RAS mutants","Interleukin-15 signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D in semaphorin signaling","Mitotic Anaphase"
,"Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Centrosome maturation","IRS-mediated signalling","Trafficking of AMPA 
receptors","MyD88 cascade initiated on plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","FCGR3A-mediated phagocytosis","Regulation of TP53 Expression and Degrad
ation","Depolymerisation of the Nuclear Lamina","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Replication of the SARS-CoV-1 genome
","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","Sema4D induced cell migration and growth-cone collapse","Separation of Sister
 Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Loss of proteins required for interphase microtubule organization from the centrosome","PI3K Cascade","Trafficking of GluR2-contain
ing AMPA receptors","MAP kinase activation","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Regulation of TP53 Degradation",Inactivation,"recovery and regulation of the phototrans
duction cascade","Ras activation upon Ca2+ influx through NMDA receptor","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mit
otic centrosomes","PKB-mediated events","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","PDE3B signalling","CRE
B phosphorylation"}

> <broad_targets>
{PRKCA,PRKCB,PRKCD,PRKCE,PRKCH,PRKCQ}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{Sotrastaurin,425637-18-9,425637189,AEB071,"Sotrastaurin (AEB071)",AEB-071,UNII-7I279E1NZ8,UNII7I279E1NZ8,NVP-AEB071,NVPAEB071,"AEB 071",CHEBI:90531,7I279E1NZ8,"Sotrastaurin (USAN:INN)",sotrastaurina,
sotrastaurine,sotrastaurinum,Kinome_2717,Kinome2717,Kinome-2717,"Kinome 2717","Sotrastaurin (USAN/INN)",NVP-AEB-071,CHEMBL,T6278,16726,S2791,sotrastaurin}

> <pdid>
PD003283

> <targets>
{PKC}

> <classes>
{TGF-beta/Smad,Epigenetics}

> <pubchem_cids>
{10296883}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1953    1.5031    0.0000 N   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4893    5.2570    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 N   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 C   0  0
   -1.9057   -4.0811    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 12  1  0
 17 18  1  0
 18  5  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13209

> <plate>
PLATE 003

> <well>
F9

> <supplier_cmpd_name>
BMS-345541

> <ctcr_id>
2441

> <supplier_cmpd_id>
T6326

> <smiles>
Cc1ccc2NC(=NCCN)c3ncc(C)n3c2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{445430-58-0,445430580,BMS-345541,BMS345541,"BMS-345541 free base","BMS345541 free base","N1-(1,8-dimethylimidazo(1,2-a)quinoxalin-4-yl)ethane-1,2-diamine","N1(1,8dimethylimidazo(1,2a)quinoxalin4yl)et
hane1,2diamine",UNII-26SU0NEF5F,UNII26SU0NEF5F,"BMS-345541(free base)","BMS345541(free base)","BMS-345541 (free base)","BMS345541 (free base)","IKK Inhibitor III, BMS-345541","IKK Inhibitor III, BMS34
5541",26SU0NEF5F,1,2-Ethanediamine,2Ethanediamine,S8044}

> <pdid>

> <targets>
{I??B/IKK,I?B/IKK}

> <classes>
{NF-?B}

> <pubchem_cids>
{9813758}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    7.7644  -10.5165    0.0000 C   0  0
    9.0672   -9.7731    0.0000 C   0  0
    9.0747   -8.2731    0.0000 C   0  0
    7.7795   -7.5165    0.0000 N   0  0
    6.4767   -8.2600    0.0000 C   0  0
    6.4691   -9.7600    0.0000 C   0  0
    7.7840   -6.0157    0.0000 C   0  0
    6.4870   -5.2605    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1884    2.6409    0.0000 C   0  0
   -4.6235    3.0601    0.0000 C   0  0
   -4.9782    4.5176    0.0000 C   0  0
   -3.8933    5.5535    0.0000 N   0  0
   -2.4538    5.1320    0.0000 C   0  0
   -2.0991    3.6745    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13210

> <plate>
PLATE 003

> <well>
F10

> <supplier_cmpd_name>
Dorsomorphin dihydrochloride

> <ctcr_id>
1171

> <supplier_cmpd_id>
T6146

> <smiles>
C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)ncc4c5ccncc5

> <pd_targets>
{EPHA2,FLT1,KDR,PRKAB1,ACVRL1,MKNK1,TGFBR1,BMPR1A,EIF2AK2,BMPR1B,RPS6KA1,ACVR1,BMP4,BMPR2,ACVR1B,TGFBR2,LCK,SRC,FLT3,PRKAA1,PRKAA2,PRKAB2,PRKAG1,PRKAG2,PRKAG3,YES1}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Protein kinase regulatory subunit","Metallo protease","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","Other protein kinase g
roup","AGC protein kinase group","Metallo protease MAM clan","Tyrosine protein kinase Eph family","Tyrosine protein kinase VEGFR family","TKL protein kinase STKR family","CAMK protein kinase MAPKAPK f
amily","Other protein kinase PEK family","AGC protein kinase RSK family","Metallo protease M12A subfamily","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","CAMK protein kin
ase CAMK1 family","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase MNK subfamily","Other protein kinase PKR","AGC protein kinase RSK subfamily","TKL protein kinase STKR1","TKL protein k
inase STKR Type 2 subfamily","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","TK: Tyrosine kinase","
CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","Other protein kinases","RSK family","Receptor tyrosine kinases (RTKs)","AMPK subfamily","Recepto
r serine/threonine kinase (RSTK) family","MKN subfamily","PEK family","RSK subfamily","Non-receptor tyrosine kinases (nRTKs)","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular end
othelial growth factor) receptor family","Type I receptor serine/threonine kinases","Other PEK family kinases","Type II receptor serine/threonine kinases","Src family","Type III RTKs: PDGFR",CSFR,Kit,
"FLT3 receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Gene expression (Transcription)",Disease,"Immune System","Extracellular matrix organization","Nervous system development","Signaling by Receptor Tyrosin
e Kinases","RNA Polymerase II Transcription","Signaling by TGFB family members","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Innate Immune S
ystem","Elastic fibre formation","Signaling by NODAL","Axon guidance","Signaling by VEGF","Generic Transcription Pathway","Signaling by BMP","Signaling by FGFR","Signaling by TGF-beta Receptor Complex
 in Cancer","Influenza Infection","Toll-like Receptor Cascades","Molecules associated with elastic fibres","Regulation of signaling by NODAL","HIV Infection","Signaling by NTRKs","Signaling by Insulin
 receptor","Leishmania infection","EPH-Ephrin signaling","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Signaling by FGFR4","Loss of Function of SMAD2
/3 in Cancer","NS1 Mediated Effects on Host Pathways","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Leishm
ania parasite growth and survival","EPHA-mediated growth cone collapse","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","Negat
ive regulation of FGFR4 signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Inhibition of PKR","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease 
pathogenesis","Signalling to ERKs","IRS-mediated signalling","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity through Phosphorylation","Spry regulation
 of FGF signaling","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signalling to RAS","PI3K Cascade","FCGR3A-mediated IL10 syn
thesis","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","CREB phosphorylation"}

> <broad_targets>
{ACVR1,BMPR1A,BMPR1B,EPHA2,FKBP1A,FLT1,FLT3,KDR,LCK,MKNK1,PRKAA1,RPS6KA1,SRC}

> <broad_moa>
{"AMPK inhibitor"}

> <synonyms>
{dorsomorphin,866405-64-3,866405643,"866405 64 3","Compound C",BML-275,BML275,"BML 275","AMPK Inhibitor, Compound C","Dorsomorphin free base","866405-64-3 (free base)","866405643 (free base)","866405 
64 3 (free base)",UNII-10K52CIC1Z,UNII10K52CIC1Z,"UNII 10K52CIC1Z",10K52CIC1Z,CHEMBL478629,CHEBI:78510,MFCD08705402,"compound C dorsomorphin","Dorsomorphin (Compound C)",T6146,T1977,"EMD 171260","Dors
omorphin dihydrochloride",Dorsomorphin,171260,"COMPOUND C"}

> <pdid>
PD004294

> <targets>
{AMPK,Autophagy,"TGF-² Receptor"}

> <classes>
{Autophagy,Epigenetics,PI3K/Akt/mTOR,TGF-beta/Smad}

> <pubchem_cids>
{11524144}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5938    4.6845    0.0000 N   0  0
   -7.0600    6.1102    0.0000 C   0  0
   -7.5957    3.5682    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.5650   -3.1911    0.0000 C   0  0
   -4.4475   -4.6865    0.0000 C   0  0
   -5.5882   -5.6605    0.0000 O   0  0
   -2.9890   -5.0368    0.0000 N   0  0
   -2.2051   -3.7579    0.0000 C   0  0
   -0.7106   -3.6291    0.0000 O   0  0
   -5.8396   -2.3989    0.0000 C   0  0
   -7.1567   -3.0918    0.0000 C   0  0
   -8.2151   -2.0288    0.0000 N   0  0
   -7.5314   -0.6946    0.0000 C   0  0
   -8.0659    0.7069    0.0000 C   0  0
   -7.1194    1.8706    0.0000 C   0  0
   -5.6383    1.6327    0.0000 C   0  0
   -5.1038    0.2312    0.0000 C   0  0
   -6.0503   -0.9325    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16  6  1  0
 16 17  2  0
 17  3  1  0
 15 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 19 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 25  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13211

> <plate>
PLATE 003

> <well>
F11

> <supplier_cmpd_name>
Go 6983

> <ctcr_id>
1001

> <supplier_cmpd_id>
T6313

> <smiles>
COc1ccc2n(CCCN(C)C)cc(c2c1)C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45

> <pd_targets>
{PRKCD,PRKCG,PRKCB,PRKCZ,PRKCA,CACNA1C,CACNB2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Voltage-gated calcium channel","AGC protein kinase group","AGC protein kinase PKC family","AGC protein kinase PKC delta subfa
mily","AGC protein kinase PKC alpha subfamily","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Protein kinase C (PKC) family","Delta subfamily","Alpha subfamily","Iota subfamily"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System","Cell Cycle","Intracellular signaling by second messengers","Transmission across Chemical Synapses",Mitotic,"Signaling by Nuclear Receptors","Signaling by GPCR
","DAG and IP3 signaling","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","ESR-mediated signaling","GPCR downstream signalling","CaM pathway","Glutamate binding","activatio
n of AMPA receptors and synaptic plasticity","Mitotic Prophase","Extra-nuclear estrogen signaling","G alpha (i) signalling events","Calmodulin induced events","Trafficking of AMPA receptors","Nuclear 
Envelope Breakdown","Estrogen-stimulated signaling through PRKCZ","Visual phototransduction","Trafficking of GluR2-containing AMPA receptors","Depolymerisation of the Nuclear Lamina","The phototransdu
ction cascade",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
{PRKCA,PRKCB,PRKCD,PRKCG,PRKCZ}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{Go6983,Go-6983,"Go 6983","Goe 6983",Go-6893,Go6893,"Go 6893",Goe-6983,Goe6983,"Go 6983;Goe 6983","G? 6983",MFCD04040031,"G&ouml; 6983","Gouml 6983",MLS006011225,CHEMBL261491,GTPL5192,SCHEMBL1680253,C
HEBI:91455,DTXSID60274402,HMS3229E15,HMS3650B11,HMS3651D10,BCP06669,EX-A1221,EXA1221,"EX A1221",ZINC252,T6313,"EMD 365251",SY-Go6983,365251}

> <pdid>
PD010518

> <targets>
{PKC}

> <classes>
{}

> <pubchem_cids>
{3499}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
   14.2688   -3.7400    0.0000 C   0  0
   14.2761   -5.2400    0.0000 O   0  0
   12.9805   -5.9975    0.0000 C   0  0
   12.9857   -7.4975    0.0000 C   0  0
   11.6892   -8.2520    0.0000 C   0  0
   10.3875   -7.5065    0.0000 C   0  0
   10.3824   -6.0065    0.0000 C   0  0
   11.6789   -5.2520    0.0000 C   0  0
    9.0888   -8.2588    0.0000 C   0  0
    9.0914   -9.7587    0.0000 O   0  0
    7.7875   -7.5110    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0048   -2.9949    0.0000 C   0  0
   -1.4259   -3.0331    0.0000 C   0  0
   -0.6691   -1.7380    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    6.4885   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 20  1  0
 18 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 29 34  1  0
 34 24  1  0
 14 35  1  0
 35 36  1  0
 36 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13212

> <plate>
PLATE 003

> <well>
G2

> <supplier_cmpd_name>
NVP-TNKS656

> <ctcr_id>
11604

> <supplier_cmpd_id>
T3261

> <smiles>
COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc(=O)c3c(CCOC3)[nH]2)CC1

> <pd_targets>
{TNKS2,TNKS,PARP2,WNT3A}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"Signal Transduction","DNA Repair",Disease,"Intracellular signaling by second messengers","Base Excision Repair","Diseases of signal transduction by growth factor receptors and second messengers","PI
P3 activates AKT signaling","Resolution of Abasic Sites (AP sites)","Signaling by WNT in cancer","PTEN Regulation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Signa
ling by RNF43 mutants","Regulation of PTEN stability and activity","POLB-Dependent Long Patch Base Excision Repair"}

> <broad_targets>
{TNKS2}

> <broad_moa>
{"tankyrase inhibitor"}

> <synonyms>
{VPTNKS65,NVP-TNKS656,NVPTNKS656,1419949-20-4,1419949204,TNKS656,NVP-TNKS-656,TNKS-656,CHEMBL2419706,TNK-S656,"TNKS 656",SCHEMBL14638273,SCHEMBL21843258,GTPL10674,BCP28685,EX-A2627,EXA2627,BDBM5043979
1,ZINC96283562,AKOS027323458,CCG-269654,CCG269654,"example 5 (WO2013012723A1)",co,T3261}

> <pdid>
PD071440

> <targets>
{TNKS2}

> <classes>
{Metabolism}

> <pubchem_cids>
{136237316}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 44 49  0  0  1  0            999 V2000
   -8.2964   -3.1881    0.0000 C   0  0
   -8.3049   -1.6881    0.0000 O   0  0
   -9.5921   -3.9455    0.0000 C   0  0
  -10.8963   -3.2030    0.0000 C   0  0
  -12.1920   -3.9604    0.0000 C   0  0
  -13.4967   -3.2201    0.0000 C   0  0
  -14.7901   -3.9797    0.0000 C   0  0
  -14.7790   -5.4797    0.0000 C   0  0
  -13.4744   -6.2200    0.0000 C   0  0
  -12.1810   -5.4604    0.0000 C   0  0
  -16.0724   -6.2393    0.0000 O   0  0
  -16.0939   -3.2363    0.0000 O   0  0
  -16.1029   -1.7363    0.0000 C   0  0
   -6.9921   -3.9307    0.0000 O   0  0
   -5.6963   -3.1734    0.0000 C   0  0  1  0  0  0
   -5.6963   -1.6754    0.0000 C   0  0
   -4.4151   -0.9264    0.0000 C   0  0
   -3.1340   -1.6754    0.0000 C   0  0  2  0  0  0
   -1.8528   -0.8870    0.0000 C   0  0  2  0  0  0
   -1.8331    0.5322    0.0000 C   0  0
   -0.5322    1.2812    0.0000 C   0  0
    0.7096    0.5322    0.0000 C   0  0  1  0  0  0
    0.7096   -0.9264    0.0000 C   0  0  2  0  0  0
   -0.5322   -1.6754    0.0000 C   0  0  2  0  0  0
   -0.5322   -3.1734    0.0000 C   0  0
   -1.8331   -3.9027    0.0000 C   0  0
   -3.1340   -3.1734    0.0000 C   0  0  1  0  0  0
   -4.4151   -3.9027    0.0000 C   0  0
   -3.0984   -4.6211    0.0000 C   0  0
   -5.7318   -4.6213    0.0000 C   0  0
    2.1287   -1.3994    0.0000 C   0  0
    3.0157    0.0000    0.0000 C   0  0
    2.1287    1.0052    0.0000 C   0  0  2  0  0  0
    2.5536    2.4440    0.0000 C   0  0  2  0  0  0
    1.5204    3.5314    0.0000 C   0  0
    4.0126    2.7957    0.0000 C   0  0
    4.4384    4.2348    0.0000 C   0  0
    5.8975    4.5865    0.0000 C   0  0
    6.3233    6.0257    0.0000 C   0  0
    7.7816    6.3772    0.0000 C   0  0
    5.2901    7.1131    0.0000 C   0  0
    0.8750   -2.4172    0.0000 C   0  0
    0.8750    2.0230    0.0000 C   0  0
   -3.1340    0.0394    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
  7 12  1  0
 12 13  1  0
  1 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  6
 25 26  1  0
 27 26  1  1
 27 18  1  0
 27 28  1  0
 28 15  1  0
 28 29  1  0
 28 30  1  0
 23 31  1  0
 31 32  1  0
 33 32  1  1
 33 22  1  0
 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 23 42  1  6
 22 43  1  1
 19 44  1  0
 44 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13213

> <plate>
PLATE 003

> <well>
G3

> <supplier_cmpd_name>
Gamma-Oryzanol

> <ctcr_id>
11237

> <supplier_cmpd_id>
T3606

> <smiles>
C(=O)(/C=C/c1cc(c(cc1)O)OC)O[C@H]1CC[C@]23[C@@]4(CC[C@]5([C@]([C@@H]4CC[C@H]2C1(C)C)(CC[C@@H]5[C@H](C)CCC=C(C)C)C)C)C3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AMMAORYZANO,gamma-Oryzanol,gammaOryzanol,"gamma Oryzanol","Cycloartenyl ferulate",Oliver,11042-64-1,11042641,HI-Z,HIZ,Gammariza,"Gamma oryzanol (JAN)",3-O-Ferulylcycloartenol,3OFerulylcycloartenol,UN
II-3PQR2YON9T,UNII3PQR2YON9T,"Cycloartenol ferulate",3PQR2YON9T,"Cycloartenol Trans-Ferulate","Cycloartenol TransFerulate","gamma Oryzanol (JAN)",T3606,Gamma-Oryzanol}

> <pdid>
PD014661

> <targets>
{"DNA methyltransferase (DNMT)"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{5282164}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -0.0012   -6.0029    0.0000 C   0  0
   -0.0035   -7.5029    0.0000 C   0  0
   -1.3038   -8.2509    0.0000 C   0  0
   -2.6016   -7.4988    0.0000 C   0  0
   -2.5992   -5.9988    0.0000 C   0  0
   -1.3092   -9.7517    0.0000 O   0  0
   -2.6105  -10.4978    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
    5.2029   -2.9932    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  9  1  0
 14 15  2  0
 13 16  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
  8 25  1  0
  6 26  1  0
  2 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13214

> <plate>
PLATE 003

> <well>
G4

> <supplier_cmpd_name>
Icaritin

> <ctcr_id>
11482

> <supplier_cmpd_id>
T3398

> <smiles>
CC(=CCc1c(cc(c2c1oc(c(c2=O)O)c1ccc(cc1)OC)O)O)C

> <pd_targets>
{KDM1A,PDE5A}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Phosphodiesterase,"Lysine demethylase","Phosphodiesterase 5","Lysine-specific demethylase","Phosphodiesterase 5A"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cyclic nucleotide turnover/signalling","1.14.11.- Histone demethylases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction",Hemostasis,"Intracellular signaling by second messengers","Platelet homeostasis","PIP3 activates AKT signaling","Nitric oxide stimulates guanylate cyclase","PTEN Regulation","cG
MP effects","Regulation of PTEN gene transcription"}

> <broad_targets>
{PDE5A}

> <broad_moa>
{"PPAR receptor antagonist"}

> <synonyms>
{Icaritin,118525-40-9,118525409,UNII-UFE666UELY,UNIIUFE666UELY,UFE666UELY,CHEMBL498485,"3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one","3,5,7trihydroxy2(4methoxyphenyl)8(3me
thylbut2enyl)chromen4one",Icartin,Anhydroicaritin;,Icaritin(Anhydroicaritin),MLS006010055,BIDD:ER0021,SCHEMBL4223542,SGN162,>,T3398}

> <pdid>
PD040280

> <targets>
{JAK2,STAT3,Apoptosis,Autophagy}

> <classes>
{Angiogenesis,JAK/STAT signaling,Chromatin/Epigenetic,Stem Cells,Apoptosis,Autophagy}

> <pubchem_cids>
{5318980}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    7.7743   -8.0823    0.0000 C   0  0
    6.4765   -7.3301    0.0000 C   0  0
    7.5425   -6.2749    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    5.4212   -6.2641    0.0000 C   0  0
    6.4915   -3.7597    0.0000 C   0  0
    7.7931   -3.0140    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5496   -4.4224    0.0000 N   0  0
   -1.7973   -5.7210    0.0000 C   0  0
   -0.2973   -5.7184    0.0000 O   0  0
   -2.5450   -7.0224    0.0000 C   0  0
   -2.4994   -8.4432    0.0000 C   0  0
   -3.7984   -7.6931    0.0000 C   0  0
    5.1713   -8.0693    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  2  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 14  1  0
 22 18  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 26  1  0
  2 29  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13215

> <plate>
PLATE 003

> <well>
G5

> <supplier_cmpd_name>
Solcitinib

> <ctcr_id>
11534

> <supplier_cmpd_id>
T3620

> <smiles>
CC1(CN(C1)C(=O)c1ccc(cc1)c1cccc2nc(nn12)NC(=O)C1CC1)C

> <pd_targets>
{JAK3,JAK1,TYK2,JAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Interleukin-2 family signaling","
Antiviral mechanism by IFN-stimulated genes","Interferon alpha/beta signaling","G1 Phase","Interleukin-15 signaling","ISG15 antiviral mechanism","Regulation of IFNA signaling","Cyclin D associated eve
nts in G1"}

> <broad_targets>
{JAK1}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Solcitinib,1206163-45-2,1206163452,GLPG-0778,GLPG0778,UNII-3V7GQ1260K,UNII3V7GQ1260K,GSK2586184A,3V7GQ1260K,G154578,Solicitinib,GSK2586184,GSK-2586184,"GLPG 0778","Solcitinib (USAN:INN)","GSK 2586184
",GSK-2586184A,SolcitinibGLPG0778,"Solcitinib (USAN/INN)",GLPG-0778;Sol,GLPG0778;Sol,T3620}

> <pdid>
PD012396

> <targets>
{JAK1,JAK}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,JAK/STAT signaling,Stem Cells,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{44603362}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -11.6963   -0.7681    0.0000 O   0  0
  -13.0003    1.4796    0.0000 N   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -14.2938   -0.7728    0.0000 C   0  0
  -15.5902   -1.5272    0.0000 C   0  0
  -16.8919   -0.7817    0.0000 C   0  0
  -16.8971    0.7183    0.0000 C   0  0
  -15.6006    1.4727    0.0000 C   0  0
  -15.6059    2.9727    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13216

> <plate>
PLATE 003

> <well>
G6

> <supplier_cmpd_name>
RG2833

> <ctcr_id>
93

> <supplier_cmpd_id>
T6639

> <smiles>
Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc2ccccc2N

> <pd_targets>
{HDAC3,HDAC1,HDAC2,NCOR2,HDAC8}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Disorders of Nervous System Development","Generic Transcription 
Pathway","M Phase","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity",
"Mitotic Anaphase","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatid
s"}

> <broad_targets>
{HDAC1,HDAC3}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{RG2833,1215493-56-3,1215493563,RG-2833,"RGFP 109",RGFP109,"RG2833 (RGFP109)",N-(6-((2-Aminophenyl)amino)-6-oxohexyl)-4-methylbenzamide,N(6((2Aminophenyl)amino)6oxohexyl)4methylbenzamide,UNII-17V14R89
EU,UNII17V14R89EU,RGFP-109,N-(6-(2-Aminophenylamino)-6-oxohexyl)-4-methylbenzamide,N(6(2Aminophenylamino)6oxohexyl)4methylbenzamide,17V14R89EU,N-(6-(2-aminoanilino,N(6(2aminoanilino,T6639,S7292,RG2833
(RGF109)}

> <pdid>
PD010362

> <targets>
{HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{56654642}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    1.2856    8.2540    0.0000 N   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
    1.2773    9.7548    0.0000 C   0  0
   -0.0254   10.4985    0.0000 C   0  0
    2.5724   10.5116    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 C   0  0
   -1.8609   -9.7860    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
   -3.8978    3.7504    0.0000 C   0  0
   -3.9003    5.2504    0.0000 C   0  0
   -5.2005    5.9983    0.0000 C   0  0
   -6.4984    5.2463    0.0000 C   0  0
   -6.4960    3.7463    0.0000 C   0  0
   -5.1957    2.9983    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  5  1  0
 20 21  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 27  1  0
 18 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13217

> <plate>
PLATE 003

> <well>
G7

> <supplier_cmpd_name>
UNC0638

> <ctcr_id>
5340

> <supplier_cmpd_id>
T3257

> <smiles>
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5

> <pd_targets>
{EHMT1,EHMT2,DNMT1,SPIN1}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Writer,"Protein methyltransferase","DNA methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.- Methyltransferases","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"Transcriptional Reg
ulation by TP53","SUMO E3 ligases SUMOylate target proteins","Regulation of TP53 Activity","SUMOylation of DNA methylation proteins","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{UNC0638,1255580-76-7,1255580767,UNC-0638,"UNC 0638",UNII-26A103L2FO,UNII26A103L2FO,1255517-77-1,1255517771,CHEMBL1231795,26A103L2FO,cc-643,cc643,MLS006010242,GTPL7015,SCHEMBL14844528,CHEBI:95074,AOB1
616,DTXSID30154787,C30H47N5O2,HMS3426M09,HMS3743O07,BCP06142,EX-A2205,EXA2205,4142AH,BDBM50353128,N,T3257,4343,S8071}

> <pdid>
PD000003

> <targets>
{Histone Methyltransferase,Autophagy,Influenza Virus}

> <classes>
{Anti-infection,Autophagy,Epigenetics}

> <pubchem_cids>
{46224516}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 O   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1272    4.3728    0.0000 C   0  0
   -6.5954    4.6799    0.0000 C   0  0
   -7.5954    3.5619    0.0000 C   0  0
   -7.1272    2.1368    0.0000 C   0  0
   -5.6590    1.8298    0.0000 C   0  0
   -9.0637    3.8689    0.0000 Cl  0  0
   -4.1272    5.4909    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 13 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13218

> <plate>
PLATE 003

> <well>
G8

> <supplier_cmpd_name>
ITSA1

> <ctcr_id>
11605

> <supplier_cmpd_id>
T3358

> <smiles>
c1ccc2c(c1)nnn2C(=O)c1c(cc(cc1)Cl)Cl

> <pd_targets>
{GLA,THRB}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Hydrolase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2
"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Metabolism of lipids","Post-translational protein modification","Sphingolipid metabolism",SUMOylation,"Glycosphingolipid metabolism","SUMO E3 ligases SUMOylate ta
rget proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ITSA-1,ITSA1,200626-61-5,200626615,"ITSA-1 (ITSA1)","ITSA1 (ITSA1)","N-(1H-Benzotriazol-1-yl)-2,4-dichlorobenzamide","N(1HBenzotriazol1yl)2,4dichlorobenzamide","benzotriazol-1-yl-(2,4-dichlorophenyl)
methanone","benzotriazol1yl(2,4dichlorophenyl)methanone","(1H-Benzo(d)(1,2,3)triazol-1-yl)(2,4-dichlorophenyl)methanone","(1HBenzo(d)(1,2,3)triazol1yl)(2,4dichlorophenyl)methanone",1-(2,1(2,4-dichloro
benzoyl)-1H-1,4dichlorobenzoyl)1H1,2,3-benzotriaz,3benzotriaz,T3358}

> <pdid>
PD015756

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{771910}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
    7.7794  -12.0187    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0  1  0  0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 14 19  1  0
 19 20  1  0
  6 21  1  1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13219

> <plate>
PLATE 003

> <well>
G9

> <supplier_cmpd_name>
6-Gingerol

> <ctcr_id>
11954

> <supplier_cmpd_id>
T3405

> <smiles>
CCCCC[C@@H](CC(=O)CCc1cc(c(cc1)O)OC)O

> <pd_targets>
{CYP2C19,CYP1A2,CYP2C9,CYP3A4,CYP2B6,CYP2C8,TRPA1,CYP2D6,CYP2A6,CYP2E1,HTR1A,LTA4H,TRPV1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Cytochrome P450","Voltage-gated ion channel","Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 fam
ily 3","Transient receptor potential channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 family 2B",
"Cytochrome P450 family 2D","Cytochrome P450 family 2A","Cytochrome P450 family 2E","Monoamine receptor","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytoc
hrome P450 2B6","Cytochrome P450 2C8","Cytochrome P450 2D6","Cytochrome P450 2A6","Cytochrome P450 2E1","Serotonin receptor",Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M
1 family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","Transient Receptor P
otential channels","5-Hydroxytryptamine receptors","Peptidases and proteinases","MA: Metallo (M) Peptidases","M1: Aminopeptidase N"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Signal Transduction","Biological oxidations","Metabolism of lipids","Ion channel transport","Signaling by GPCR","Phase I - Functionalization of compounds","
Biosynthesis of specialized proresolving mediators (SPMs)","Stimuli-sensing channels","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","TRP chann
els","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Biosynthesis of maresins","Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2
","Biosynthesis of maresin-like SPMs","Serotonin receptors","Biosynthesis of aspirin-triggered D-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GINGERO,6-Gingerol,6Gingerol,23513-14-6,23513146,gingerol,(6)-Gingerol,(6)Gingerol,(S)-(+)-(6)Gingerol,(S)(+)(6)Gingerol,(S)-(6)-Gingerol,(S)(6)Gingerol,"3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyp
henyl)-, (5S)-","3Decanone, 5hydroxy1(4hydroxy3methoxyphenyl), (5S)",(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one,(S)5Hydroxy1(4hydroxy3methoxyphenyl)decan3one,(5S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3,(5S)5hydroxy1(4hydroxy3methoxyphenyl)3,T3405}

> <pdid>
PD015674

> <targets>
{AMPK,Apoptosis}

> <classes>
{Apoptosis,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{442793}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.5517    0.8722    0.0000 O   0  0
   -7.5554    1.9869    0.0000 C   0  0
   -6.8054    3.2859    0.0000 C   0  0
   -7.4120    4.6559    0.0000 C   0  0
   -6.5281    5.8688    0.0000 O   0  0
   -7.1357    7.2412    0.0000 C   0  0
   -6.2540    8.4547    0.0000 C   0  0
   -6.8641    9.8251    0.0000 C   0  0
   -8.3559    9.9819    0.0000 C   0  0
   -8.9691   11.3517    0.0000 C   0  0
  -10.4619   11.5065    0.0000 C   0  0
  -11.0751   12.8764    0.0000 C   0  0
  -12.5680   13.0312    0.0000 C   0  0
  -13.1812   14.4010    0.0000 N   0  0
  -14.6395   14.6930    0.0000 C   0  0
  -14.7962   16.1847    0.0000 C   0  0
  -13.4259   16.7948    0.0000 N   0  0
  -12.4222   15.6801    0.0000 N   0  0
   -9.2376    8.7684    0.0000 C   0  0
   -8.6275    7.3981    0.0000 C   0  0
   -5.3382    2.9741    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 25  1  0
 20 30  1  0
 30 31  2  0
 31 17  1  0
 14 32  1  0
 32 11  2  0
  8 33  1  0
 33 34  2  0
 34  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13220

> <plate>
PLATE 003

> <well>
G10

> <supplier_cmpd_name>
Mubritinib

> <ctcr_id>
7188

> <supplier_cmpd_id>
T6124

> <smiles>
FC(F)(F)c1ccc(\C=C\c2occ(COc3ccc(CCCCn4ccnn4)cc3)n2)cc1

> <pd_targets>
{ERBB2,EGFR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase EGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Nervous system development","Signaling by GPCR","Axon guidance","GPCR downstream signalling","Semaphorin interactions","G alpha (q) signalling events","
Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"protein tyrosine kinase inhibitor"}

> <synonyms>
{Mubritinib,366017-09-6,366017096,"Mubritinib (TAK 165)","TAK 165",TAK-165,TAK165,UNII-V734AZP9BR,UNIIV734AZP9BR,V734AZP9BR,C25H23F3N4O2,"Mubritinib (USAN/INN)","Mubritinib (USAN:INN)","Mubritinib; TA
K-165","Mubritinib; TAK165","Mubritinib - TAK 165","Mubritinib  TAK 165",SCHEMBL94943,cc-594,cc594,MLS00601,T6124,SY-Mubritinib,S2216,"Mubritinib   (TAK-165)"}

> <pdid>
PD010822

> <targets>
{HER2,EGFR}

> <classes>
{JAK/STAT Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{6444692}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    6.3990    0.0003    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  3
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0
   -9.2200    3.4635    0.0000 O   0  0
  -10.1017    2.2499    0.0000 C   0  0
   -9.2200    1.0364    0.0000 O   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  2  0
 22 23  1  0
 23 24  2  0
 24 12  1  0
 24 16  1  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
M  CHG  2   1  -1  10   1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13221

> <plate>
PLATE 003

> <well>
G11

> <supplier_cmpd_name>
Chelerythrine chloride

> <ctcr_id>
551

> <supplier_cmpd_id>
T3419

> <smiles>
[Cl-].COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC

> <pd_targets>
{PPARG,ACHE,RORC,FFP,CYP2C9,CYP1A2,P2RX7,CYP2C19,HIF1A,ALDH1A1,KMT2A,MEN1,CYP3A4,NFKB1,HSD17B10,MAPT,ALD,HPGD,MAOA,ATP2A1,PRKACA,PRKACB,PRKACG,PRKAR1A,PRKAR1B,PRKAR2A,PRKAR2B,TP53,BCL2L1,THRB,PRKCE,AL
OX15,LEF,TSHR,THPO,CHRM1,ALOX12,CYP2D6,PRKCA,BCHE,MAPK1,USP2,BLM,RAC1,BAD,LMNA,POLB,PMP22,GMNN,NPSR1,MTOR}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel","Epigenetic regulator","Other cytosolic protein",Transporter,"Membrane receptor","Unclassified protein","Other nuclear protein","Nuclear receptor",Hydrolas
e,Transferase,"Cytochrome P450","Ligand-gated ion channel",Oxidoreductase,Reader,"Primary active transporter","Other ion channel",Kinase,Protease,"Family A G protein-coupled receptor","Nuclear hormone
 receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","P2X receptor",Bromodomain,"Cytochrome P450 family 3","P-type ATPase","Miscellaneous ion channel","Protein Kinase","Metallo
 protease","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cysteine protease","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Calcium ATPase","Bcl-2 family","Nuclear hormone receptor subfamily 1 group A","AGC protein kinase group","Metallo
 protease MAE clan","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 2D","CMGC protein kinase group","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Atypical 
protein kinase group","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 2C19"
,"Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","AGC protein kinase PKC family","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 2D6","CMGC protei
n kinase MAPK family","Cysteine protease C19 family","Cysteine protease C1A family","Neuropeptide receptor","Atypical protein kinase PIKK family","AGC protein kinase PKC eta subfamily","AGC protein ki
nase PKC alpha subfamily","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Other protein targets","Nuclear hormone receptors","Acetylcholine turnover","Cytochrome P450","Ligand-gated ion channels","Eicosanoid turnover","Catecho
lamine turnover","P-type ATPases","Kinases (EC 2.7.x.x)","B-cell lymphoma 2 (Bcl-2) protein family","G protein-coupled receptors","Peptidases and proteinases","Chromatin modifying enzymes","1C. Peroxi
some proliferator-activated receptors","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset","CYP1 family","P2X receptors","CYP3 family","Prostaglandin synthases","P2A P-type ATP
ases: Ca<sup>2+</sup>-ATPases","AGC: Containing PKA",PKG,"PKC families","1A. Thyroid hormone receptors",Lipoxygenases,"Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CMGC: Con
taining CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","Neuropeptide S receptor",Atypical,"Protein kinase A (PKA) family","Protein kinase C (P
KC) family","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Eta subfamily","Delta subfamily","ERK 
subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Cellular responses to external stimuli","Immune System","Neuronal System",Hemostasis,"Cell Cycle","Metabolism of proteins","Signal Transduction",
"DNA Repair","Developmental Biology","Programmed Cell Death","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","Infectious disease","Cellular responses to stress","Cytok
ine Signaling in Immune system","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Platelet homeostasis","Cell Cycle Checkpoints","Diseases of signal transduction by 
growth factor receptors and second messengers","Post-translational protein modification","Innate Immune System","Platelet activation","signaling and aggregation","Signaling by GPCR","DNA Double-Strand
 Break Repair","Nervous system development",Apoptosis,Mitotic,"Base Excision Repair","Generic Transcription Pathway","Phospholipid metabolism","Phase I - Functionalization of compounds","Leishmania in
fection","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Branched-chain amino acid catabolism","Neurotransmitter receptors and p
ostsynaptic signal transmission","Platelet calcium homeostasis","G1/S DNA Damage Checkpoints","FLT3 signaling in disease",SUMOylation,"Fcgamma receptor (FCGR) dependent phagocytosis","Uptake and actio
ns of bacterial toxins","Platelet Aggregation (Plug Formation)","GPCR ligand binding","GPCR downstream signalling","Toll-like Receptor Cascades","Homology Directed Repair","Axon guidance","Intrinsic P
athway for Apoptosis","M Phase","Resolution of Abasic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Transcriptional Regulat
ion by MECP2","Glycerophospholipid biosynthesis","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","Cell recruitment (pro-inflammatory response)","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Activation of NMDA receptors and postsynaptic events","
Amine Oxidase reactions","Reduction of cytosolic Ca++ levels","p53-Dependent G1/S DNA damage checkpoint","Signaling by FLT3 ITD and TKD mutants","SUMO E3 ligases SUMOylate target proteins","Role of ph
ospholipids in phagocytosis","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","G alpha (i) si
gnalling events","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","HDR through Homologous Recombination (HRR) or Single Strand Annealing
 (SSA)","Semaphorin interactions","Activation of BH3-only proteins","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","M
ECP2 regulates transcription factors","Synthesis of PC","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Purinergic signaling in leishmaniasis infection","Biosynthesis of maresins","I
nterleukin-1 signaling","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","p53-Dependent G1 DNA Dam
age Response","STAT5 activation downstream of FLT3 ITD mutants","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infecti
on","Amine ligand-binding receptors","Visual phototransduction","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function","HDR through Homologous Recombination (HRR)","Sema4D in semaphorin signaling","Activation of BAD and translocation to mitochondria","Mitotic Anaphase","PCNA-Dependent Long P
atch Base Excision Repair","Activation of the pre-replicative complex","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","MAP3K8
 (TPL2)-dependent MAPK1/3 activation","Activation of AMPK downstream of NMDARs","Stabilization of p53","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cyt
okines production","Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-derived maresins","The phototransduction cascade","MAP kinase activation","Regulation of TP53 Expression and Degradation
","Homologous DNA Pairing and Strand Exchange","Sema4D mediated inhibition of cell attachment and migration","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase COP1",Inacti
vation,"recovery and regulation of the phototransduction cascade","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Presynaptic phase of homologous DNA pairing a
nd strand exchange","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chelerythrine hydrochloride","Chelerythrine chloride",3895-92-9,3895929,UNII-7IC98TZ0PZ,UNII7IC98TZ0PZ,"Chelerythrine (chloride)",7IC98TZ0PZ,CHEMBL258893,Chelerythrinechloride,1,2-dimethoxy-12-methy
l(1,2dimethoxy12methyl(1,3)benzodioxolo(5,6-c)phenanthridiniumchlorid,6c)phenanthridiniumchlorid,T3419,T6S0052,"EMD 220285",Chelerythrine,220285}

> <pdid>
PD038954

> <targets>
{Apoptosis,Autophagy,Bcl-2 Family,PKC}

> <classes>
{Apoptosis,Autophagy,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{72311}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
   -3.8109  -11.3760    0.0000 C   0  0
   -2.3446  -11.6924    0.0000 C   0  0
   -1.8859  -13.1205    0.0000 O   0  0
   -1.3373  -10.5798    0.0000 O   0  0
   -1.7962   -9.1509    0.0000 C   0  0
   -2.8035  -10.2623    0.0000 C   0  0
   -3.2625   -8.8345    0.0000 C   0  0
   -0.7889   -8.0383    0.0000 C   0  0
   -1.2479   -6.6094    0.0000 C   0  0
   -0.2405   -5.4968    0.0000 C   0  0
    1.2257   -5.8132    0.0000 O   0  0
   -0.6995   -4.0679    0.0000 C   0  0  2  0  0  0
   -2.1657   -3.7515    0.0000 C   0  0
    0.7668   -4.3843    0.0000 O   0  0
    0.3061   -2.9572    0.0000 C   0  0  1  0  0  0
    1.7979   -3.1140    0.0000 C   0  0  2  0  0  0
    2.5479   -4.4130    0.0000 O   0  0
    2.4080   -1.7436    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    2.6686   -0.1382    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0  2  0  0  0
   -2.5981    6.0000    0.0000 O   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
    1.2990    5.2500    0.0000 C   0  0
    2.5800    4.4696    0.0000 C   0  0
    1.2638    6.7496    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2146   -2.3802    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  6
 15 12  1  6
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  6
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  2  0
 29 31  1  0
 31 24  1  0
 31 32  1  0
 31 33  1  0
 25 34  1  0
 34 21  1  0
 34 35  1  6
 34 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 15  1  0
 39 19  1  0
 39 40  1  6
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13222

> <plate>
PLATE 003

> <well>
H2

> <supplier_cmpd_name>
Cucurbitacin B

> <ctcr_id>
5521

> <supplier_cmpd_id>
T3404

> <smiles>
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Cucurbitacin B",6199-67-3,6199673,"Datisca principle B","Datiscn Principle B","1,2-Dihydro-alpha-elaterin","1,2Dihydroalphaelaterin",UNII-0115W5MABF,UNII0115W5MABF,0115W5MABF,CHEBI:3941,"CUCURBITACI
N R - DATISCA PRINCIPLE B","CUCURBITACIN R  DATISCA PRINCIPLE B",NSC49451,Cucurbitacin-B,CucurbitacinB,"Cucurbitacin B hydrate","Cucurbitacine (B)","NSC 49451","CUCURBITACIN B"}

> <pdid>
PD011564

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Integrin}

> <classes>
{Apoptosis,Autophagy,Cytoskeleton,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5281316}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.4469    5.2298    0.0000 C   0  0
    2.9152    5.5365    0.0000 C   0  0
    3.5301    6.9047    0.0000 C   0  0
    3.6607    4.2349    0.0000 N   0  0
    2.6531    3.1237    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    0.0000   -4.5008    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    9.0976   -3.7432    0.0000 F   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13  8  2  0
  6 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  4  1  0
 17 18  1  0
 18 19  3  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13223

> <plate>
PLATE 003

> <well>
H3

> <supplier_cmpd_name>
AZ 960

> <ctcr_id>
5030

> <supplier_cmpd_id>
T6309

> <smiles>
CC(Nc1nc(Nc2cc(C)[nH]n2)c(F)cc1C#N)c3ccc(F)cc3

> <pd_targets>
{JAK3,JAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Interleukin-2 family signaling","G1 Phase","Interleukin-
15 signaling","Cyclin D associated events in G1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Z96,SCHEMBL14840366,HMS3244K15,HMS3244K16,HMS3244L15,HMS3655L10,NCGC00389417-01,NCGC0038941701,AK471620,FT-0774424,FT0774424,SY-AZ-960,S2214,AZ-960,"AZ 960"}

> <pdid>
PD010824

> <targets>
{JAKS,JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{56965903}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13224

> <plate>
PLATE 003

> <well>
H4

> <supplier_cmpd_name>
INO-1001

> <ctcr_id>
1923

> <supplier_cmpd_id>
T6329

> <smiles>
NC(=O)c1cccc(N)c1

> <pd_targets>
{PARP1,CYP2D6,ALDH1A1,CYP2C9,PARP2,LMNA,KDM4E,HSD17B10,HPGD,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator",Transferase,"Cytochrome P450",Oxidoreductase,Eraser,Protease,"Cytochrome P450 family 2","Lysine demethylase","Cysteine protease","Cytochrome P450
 family 1","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Jumonji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 1A","Cytochrome P450 2D6","Cytochrome P450 2C9","Cyst
eine protease C1A family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases","Cytochrome P450","Chromatin modifying enzymes","Eicosanoid turnover","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","Prostaglandin syn
thases","CYP1 family"}

> <pathway_reactome>
{Disease,Metabolism,"DNA Repair","Cell Cycle","Infectious disease","Biological oxidations","Base Excision Repair",Mitotic,"Metabolism of amino acids and derivatives","Metabolism of lipids","Influenza 
Infection","Phase I - Functionalization of compounds","Resolution of Abasic Sites (AP sites)","M Phase","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs
)","Influenza Viral RNA Transcription and Replication","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway"
,"Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","vRNA Synthesis",Xenobiotics,"POLB-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","Biosynthesis of D-series resolvin
s","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{3-aminobenzamide,3aminobenzamide,3544-24-9,3544249,m-Aminobenzamide,mAminobenzamide,"Benzamide, 3-amino-","Benzamide, 3amino",3-Amino-benzamide,3Aminobenzamide,"Benzamide, m-amino-","Benzamide, mamin
o",meta-aminobenzamide,metaaminobenzamide,3-ABA,3ABA,"3-amino benzamide","3amino benzamide",aniline-3-carboxamide,aniline3carboxamide,MFCD00007989,3-AB,3AB,"3-aminobenzoic acid amide","3aminobenzoic a
cid amide",UNII-8J365YF1YH,UNII8J365YF1YH,3-,3,T6329,1503694,INO-1001,3-AMINOBENZAMIDE}

> <pdid>
PD000889

> <targets>
{PARP}

> <classes>
{killer cell blocker,antiproliferative,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{1645}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
   18.1999   -1.5000    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   16.9009   -0.7502    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   10.3999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8989   -0.7502    0.0000 C   0  0
    2.6000   -1.5000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7991    0.0004    0.0000 O   0  0
   19.4998    2.2500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
  2 22  1  0
 22 23  2  0
 22 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13225

> <plate>
PLATE 003

> <well>
H5

> <supplier_cmpd_name>
ETC-1002

> <ctcr_id>
11772

> <supplier_cmpd_id>
T3625

> <smiles>
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O

> <pd_targets>
{ACLY}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Fatty acyl-CoA biosynthesis"}

> <broad_targets>
{ACLY}

> <broad_moa>
{"AMPK inhibitor"}

> <synonyms>
{TC100,"TC 100","bempedoic acid",ETC-1002,ETC1002,"ETC 1002",738606-46-7,738606467,"738606 46 7","8-Hydroxy-2,2,14,14-tetramethylpentadecanedioic acid","8Hydroxy2,2,14,14tetramethylpentadecanedioic ac
id","8 Hydroxy 2,2,14,14 tetramethylpentadecanedioic acid",Nexletol,ESP-55016,ESP55016,"ESP 55016",Nilemdo,UNII-1EJ6Z6Q368,UNII1EJ6Z6Q368,"UNII 1EJ6Z6Q368",1EJ6Z6Q368,ETC-1002;ESP-55016,ETC1002;ESP550
16,"ETC 1002;ESP 55016",Bempedoate,"Bempedoic acid (USAN:INN)",bempedoic-,bempedoic,T3625}

> <pdid>
PD050470

> <targets>
{AMPK,LDL,ACL,"ATP Citrate Lyase"}

> <classes>
{Neuroscience,Epigenetics,Metabolic Enzyme/Protease,PI3K/Akt/mTOR}

> <pubchem_cids>
{10472693}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.4469   -5.2297    0.0000 C   0  0
    0.3298   -6.2307    0.0000 O   0  0
    2.9152   -5.5365    0.0000 N   0  0
    3.6607   -4.2349    0.0000 C   0  0
    2.6532   -3.1236    0.0000 S   0  0
    5.1519   -4.0729    0.0000 N   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 12 14  1  0
  3 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13226

> <plate>
PLATE 003

> <well>
H6

> <supplier_cmpd_name>
Mirin

> <ctcr_id>
11607

> <supplier_cmpd_id>
T3134

> <smiles>
c1cc(ccc1/C=C\1/C(=O)N=C(S1)N)O

> <pd_targets>
{MRE11}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{MRE11A}

> <broad_moa>
{"MRE11A exonuclease inhibitor"}

> <synonyms>
{1198097-97-0,1198097970,"Z-5-(4-Hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one","Z5(4Hydroxybenzylidene)2imino1,3thiazolidin4one",CHEMBL570841,"Mrn-atm pathway inhibitor,mirin","Mrnatm pathway inh
ibitor,mirin","(5Z)-2-AMINO-5-((4-HYDROXYPHENYL)METHYLIDENE)-1,3-THIAZOL-4-ONE","(5Z)2AMINO5((4HYDROXYPHENYL)METHYLIDENE)1,3THIAZOL4ONE",SCHEMBL21296287,CCG-208657,CCG208657,CS-5497,CS5497,AC-32950,AC
32950,AS-55824,AS55824,HY-19959,HY19959,T3134,Mirin}

> <pdid>
PD021471

> <targets>
{MRN}

> <classes>
{"DNA Damage/DNA Repair","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{137319711}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -5.1065    0.0000    0.0000 N   0  0
   -2.8700   -2.7326    0.0000 C   0  0
   -4.3654   -2.6150    0.0000 C   0  0
   -4.2478   -1.1196    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1894    6.0109    0.0000 N   0  0
    5.3272    7.4918    0.0000 C   0  0
    6.7944    7.8037    0.0000 C   0  0
    7.5444    6.5046    0.0000 C   0  0
    6.5408    5.3899    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11  6  1  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13227

> <plate>
PLATE 003

> <well>
H7

> <supplier_cmpd_name>
A-366

> <ctcr_id>
12555

> <supplier_cmpd_id>
T3624

> <smiles>
COc1c(cc2c(c1)C1(C(=N2)N)CCC1)OCCCN1CCCC1

> <pd_targets>
{SPIN1,EHMT1,EHMT2}

> <pathway_gtopdb>
{"Unclassified protein","Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{36,A-366,A366,1527503-11-2,1527503112,"A 366",CHEMBL3109630,GTPL8238,SCHEMBL17106564,BCP17827,EX-A2328,EXA2328,BDBM50446376,s7572,ZINC95921314,AKOS024458525,CCG-267804,CCG267804,CS-4644,CS4644,SB1904
7,NCGC00351478-04,NCGC0035147804,AK547438,BS-15549,BS15549,HY-12583,HY12583,"A-366, >=98 (HPLC)","A366, >=98 (HPLC)",B4947,Q27074068,T3624}

> <pdid>
PD000033

> <targets>
{G9a/GLP}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{76285486}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    4.4293   -9.7955    0.0000 C   0  0
    5.9293   -9.8007    0.0000 C   0  0
    6.3978   -8.3758    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.9707   -8.3673    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13228

> <plate>
PLATE 003

> <well>
H8

> <supplier_cmpd_name>
SGC707

> <ctcr_id>
12572

> <supplier_cmpd_id>
T3084

> <smiles>
C1CCN(C1)C(=O)CNC(=O)Nc1cc2c(cc1)cncc2

> <pd_targets>
{PRMT3}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Chromatin organization","Chromatin modifying enzymes","RMTs methylate histone arginines"}

> <broad_targets>
{PRMT3}

> <broad_moa>
{"protein arginine N-methyltransferase inhibitor"}

> <synonyms>
{SGC707,1687736-54-4,1687736544,SGC-707,"SGC 707",CHEMBL4072005,N-6-Isoquinolinyl-N'-(2-oxo-2-(1-pyrrolidinyl)ethyl)-urea,N6IsoquinolinylN'(2oxo2(1pyrrolidinyl)ethyl)urea,1-Isoquinolin-6-Yl-3-(2-Oxo-2
-(Pyrrolidin-1-Yl)ethyl)urea,1Isoquinolin6Yl3(2Oxo2(Pyrrolidin1Yl)ethyl)urea,"Urea, N-6-isoquinolinyl-N'-(2-oxo-2-(1-pyrrolidinyl)ethyl)-","Urea, N6isoquinolinylN'(2oxo2(1pyrrolidinyl)ethyl)",1-isoqui
nolin-6-yl,1isoquinolin6yl,T3084}

> <pdid>
PD000030

> <targets>
{PRMT3,PRMT3}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{90642938}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 21  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 O   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6994    0.7341    0.0000 C   0  0
  -12.9984    1.4841    0.0000 N   0  0
  -12.9985    2.9841    0.0000 C   0  0
  -11.6994    3.7341    0.0000 C   0  0
  -10.4004    2.9842    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 N   0  0
   -3.8964   -0.7545    0.0000 O   0  0
    6.2990    1.1171    0.0000 Cl  0  0
    3.7990    1.1171    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 12 19  1  0
  8 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13229

> <plate>
PLATE 003

> <well>
H9

> <supplier_cmpd_name>
BGP-15

> <ctcr_id>
11612

> <supplier_cmpd_id>
T3649

> <smiles>
C1CCN(CC1)CC(CON=C(c1cnccc1)N)O.Cl.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GP1,BGP-15,BGP15,"BGP-15 HCl","BGP15 HCl","66611-37-8 (HCl)","66611378 (HCl)","BGP 15",ANW-73474,ANW73474,AK-59717,AK59717,T3649}

> <pdid>
PD045018

> <targets>
{PARP}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{70701185}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -1.3035    3.7531    0.0000 O   0  0
   -3.9020    3.7494    0.0000 O   0  0
   -3.9051    5.2494    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
    1.2638   -2.2496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 14 20  1  0
  2 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13230

> <plate>
PLATE 003

> <well>
H10

> <supplier_cmpd_name>
Mollugin

> <ctcr_id>
11538

> <supplier_cmpd_id>
T3673

> <smiles>
CC1(C=Cc2c(O1)c1ccccc1c(c2C(=O)OC)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Mollugin,Rubimaillin,55481-88-4,55481884,"Methyl 6-hydroxy-2,2-dimethyl-2H-benzo(h)chromene-5-carboxylate","Methyl 6hydroxy2,2dimethyl2Hbenzo(h)chromene5carboxylate","methyl 6-hydroxy-2,2-dimethylben
zo(h)chromene-5-carboxylate","methyl 6hydroxy2,2dimethylbenzo(h)chromene5carboxylate","CCRIS 6432",Rubimailin,"Mollugin,(S)",CHEMBL446008,SCHEMBL2115949,ZINC7267,T3673}

> <pdid>
PD056706

> <targets>
{HER2,JAK2}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Tyrosine Kinase/Adaptors","Stem Cells"}

> <pubchem_cids>
{124219}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0  1  0  0  0
   -1.2149    3.8587    0.0000 O   0  0
   -0.7536    5.2860    0.0000 C   0  0  1  0  0  0
   -1.6387    6.4949    0.0000 C   0  0
   -3.1300    6.3336    0.0000 O   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6261    6.5033    0.0000 O   0  0
    1.2121    3.8625    0.0000 C   0  0  1  0  0  0
    2.6367    3.3928    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  1  6
 10 12  1  0
 12  5  1  0
 12 13  1  1
  4 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17  2  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13231

> <plate>
PLATE 003

> <well>
H11

> <supplier_cmpd_name>
Clevudine

> <ctcr_id>
7537

> <supplier_cmpd_id>
T6446

> <smiles>
CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O

> <pd_targets>
{P,TK1}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G1/S Transition","G1/S-Specific Transcription"}

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{D03537,2'-Fluoro-5-methyl-.beta.-L-arabinofuranosyluracil,2'Fluoro5methyl.beta.Larabinofuranosyluracil,Q1100864,Clevudine,163252-36-6,163252366,L-FMAU,LFMAU,Levovir,UNII-IN51MVP5F1,UNIIIN51MVP5F1,"Cl
evudine (Levovir)",IN51MVP5F1,1-(2-Deoxy-2-fluoro-beta-L-arabinofuranosyl)thymine,1(2Deoxy2fluorobetaLarabinofuranosyl)thymine,2'-Fluoro-5-methyl-beta-L-arabinofuranosylur,2'Fluoro5methylbetaLarabinof
uranosylur,S3001}

> <pdid>
PD012672

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{73115}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 19  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.6837   -4.3363    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -6.2774   -2.6524    0.0000 Cl  0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  8  1  0
 17 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13232

> <plate>
PLATE 004

> <well>
A2

> <supplier_cmpd_name>
Selisistat

> <ctcr_id>
5955

> <supplier_cmpd_id>
T6111

> <smiles>
NC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23

> <pd_targets>
{SIRT1,SIRT2,SIRT3,HST2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III",Enzyme}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","Regulation of FOXO transcriptional activity by acetylation","Cell Cy
cle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{49843-98-3,49843983,Selisistat,"6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide","6chloro2,3,4,9tetrahydro1Hcarbazole1carboxamide",EX-527,EX527,"EX 527",SEN0014196,"SIRT1 Inhibitor III","EX 52
7 (Selisistat)","EX-527 (S-enantiomer)","EX527 (Senantiomer)",CHEMBL420311,CHEBI:90369,"Selisistat S-enantiomer","Selisistat Senantiomer",1H-Carbazole-1-ca,1HCarbazole1ca,T6111,S1541,"EX 527 (Selisist
at)"}

> <pdid>
PD003330

> <targets>
{Sirtuin}

> <classes>
{Epigenetics,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5113032}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.4133    1.7530    0.0000 O   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.5701    4.1788    0.0000 C   0  0
   -0.0400    5.5491    0.0000 C   0  0
   -1.5318    5.7059    0.0000 C   0  0
   -2.4135    4.4923    0.0000 C   0  0
    0.8416    6.7626    0.0000 Cl  0  0
    2.5987   -1.5004    0.0000 C   0  0  1  0  0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    7.4531    1.7338    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  1  2  0
  4  8  1  0
  8  9  1  0
  9 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 16  1  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13233

> <plate>
PLATE 004

> <well>
A3

> <supplier_cmpd_name>
XL413 hydrochloride

> <ctcr_id>
11942

> <supplier_cmpd_id>
T6735

> <smiles>
c1([nH]c2c(c(=O)n1)oc1c2cc(cc1)Cl)[C@H]1NCCC1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1169562-71-3,1169562713,"BMS-863233 hydrochloride","BMS863233 hydrochloride","XL413 (hydrochloride)","XL413 hydrochloride",UNII-JG305JRH1Z,UNIIJG305JRH1Z,BMS-863233,BMS863233,"XL 413 hydrochloride","
Xl413 HCl",JG305JRH1Z,"BMS-863233 HCl salt","BMS863233 HCl salt","BMS-863233 HCl","BMS863233 HCl","1169562-71-3 (HCl)","1169562713 (HCl)","BMS-863233 (X","BMS863233 (X",T3352,T6735,XL413}

> <pdid>
PD056556

> <targets>
{CK2,Cdc7,Pim1}

> <classes>
{Chromatin/Epigenetic,Metabolism,"Cell Cycle/Checkpoint","JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{135564631}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    5.1981    0.0008    0.0000 C   0  0
    3.8990   -0.7492    0.0000 O   0  0
    2.5988    0.0004    0.0000 C   0  0
    2.5983    1.5004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2636    2.2496    0.0000 C   0  0
   -2.5801   -0.0303    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 C   0  0
    1.2991   -5.2500    0.0000 C   0  0
    2.5981   -4.5000    0.0000 C   0  0
    2.5981   -6.0000    0.0000 C   0  0
    2.5981   -7.5000    0.0000 C   0  0
    1.2991   -8.2500    0.0000 C   0  0
    1.2991   -9.7500    0.0000 C   0  0
    2.5800   -8.9695    0.0000 C   0  0
    1.2639  -11.2496    0.0000 C   0  0
    0.0000  -10.5000    0.0000 C   0  0
    0.0000  -12.0000    0.0000 O   0  0
   -1.2990   -9.7500    0.0000 C   0  0
   -1.2990   -8.2500    0.0000 C   0  0
    0.0000   -7.5000    0.0000 C   0  0
   -1.2990   -6.7500    0.0000 C   0  0
   -2.5988  -10.5004    0.0000 C   0  0
   -3.8978  -11.2504    0.0000 N   0  0
    1.2990   -3.7500    0.0000 C   0  0
    1.2990   -2.2500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12  5  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  3
 29 30  1  0
 30 17  1  0
 30 22  1  0
 30 31  1  0
 28 32  1  0
 32 33  3  0
 18 34  1  0
 34 13  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13234

> <plate>
PLATE 004

> <well>
A4

> <supplier_cmpd_name>
Bardoxolone Methyl

> <ctcr_id>
110

> <supplier_cmpd_id>
T6165

> <smiles>
COC(=O)C12CCC(C)(C)CC1C3C(=O)C=C4C(C)(CCC5C(C)(C)C(=O)C(=CC45C)C#N)C3(C)CC2

> <pd_targets>
{USP7,PPARG,USP2,NFE2L2,MBOAT4,STAT3,KEAP1,IKBKB}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Protease,"Nuclear receptor",Transferase,Kinase,"Cysteine protease","Nuclear hormone receptor subfamily 1","Protein Kinase","Cysteine protease CA c
lan","Nuclear hormone receptor subfamily 1 group C","Other protein kinase group","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group C member 3","Other protein kinase IKK family
"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Peptidases and proteinases","Transcription factors","Catalytic receptors","1C. Peroxisome proliferator-activated receptors","CA:
 Cysteine (C) Peptidases","Basic leucine zipper domain TFs","STAT transcription factors","Receptor kinases","C19: Ubiquitin-specific protease","Other protein kinases","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Disease,"Immune System","RNA Polymerase II Transcription","Peptide hormone metabolism","Diseases of signal transduction by growth factor rec
eptors and second messengers","Innate Immune System","Generic Transcription Pathway",Synthesis,secretion,"and deacylation of Ghrelin","Signaling by FGFR in disease","Toll-like Receptor Cascades","Tran
scriptional Regulation by TP53","Transcriptional Regulation by MECP2","Signaling by FGFR1 in disease","Toll Like Receptor 4 (TLR4) Cascade","Regulation of TP53 Activity","MECP2 regulates transcription
 factors","FGFR1 mutant receptor activation","MyD88-independent TLR4 cascade","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","TRIF(TICAM1)-mediated TLR4 
signaling","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{PPARG,STAT3}

> <broad_moa>
{"nuclear factor erythroid derived","like (NRF2) activator"}

> <synonyms>
{"Bardoxolone methyl",218600-53-4,218600534,CHEMBL1984993,SB23234,LS-15334,LS15334,SY039275,DB-066645,DB066645,FT-0664417,FT0664417,SW220004-1,SW2200041,"2-Cyano-3,12-dioxo-oleana-1,9(11)-dien-28-oic 
acid methyl ester","2Cyano3,12dioxooleana1,9(11)dien28oic acid methyl ester",T6165,S8078,"Bardoxolone Methyl"}

> <pdid>
PD003406

> <targets>
{I?B/IKK}

> <classes>
{NF-?B}

> <pubchem_cids>
{53315588}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    3.9096   -3.7486    0.0000 C   0  0
    5.2060   -2.9940    0.0000 C   0  0
    6.5074   -3.7399    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8960   -0.7508    0.0000 C   0  0
    2.5923   -0.0089    0.0000 N   0  0
    6.4959   -0.7356    0.0000 C   0  0
    6.4871    0.7644    0.0000 O   0  0
    7.8003   -1.4780    0.0000 N   0  0
    9.0958   -0.7204    0.0000 C   0  0
    9.0844    0.7796    0.0000 C   0  0
   10.3778    1.5394    0.0000 C   0  0
   10.3664    3.0394    0.0000 Br  0  0
   11.6824    0.7993    0.0000 C   0  0
   11.6938   -0.7006    0.0000 C   0  0
   10.4005   -1.4605    0.0000 C   0  0
   10.4119   -2.9604    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  3  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13235

> <plate>
PLATE 004

> <well>
A5

> <supplier_cmpd_name>
LFM-A13

> <ctcr_id>
7671

> <supplier_cmpd_id>
T6217

> <smiles>
C/C(O)=C(C#N)/C(=O)Nc1cc(Br)ccc1Br

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FMA1,"FM A1",lfm-a13,lfma13,"lfm a13",244240-24-2,244240242,"244240 24 2","(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide","(Z)2cyanoN(2,5dibromophenyl)3hydroxybut2enamide","(Z) 2 cyano N (
2,5 dibromophenyl) 3 hydroxybut 2 enamide",62004,1300,LFM-A13}

> <pdid>
PD002701

> <targets>
{BTK,Btk,JAK,"Polo-like Kinase (PLK)"}

> <classes>
{Cell Cycle/DNA Damage,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{54676905}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    0.1101  -10.6547    0.0000 O   0  0
   -0.4306   -9.2556    0.0000 C   0  0
   -1.9127   -9.0248    0.0000 O   0  0
    0.5116   -8.0874    0.0000 C   0  0
    1.9941   -8.3161    0.0000 C   0  0
    2.9334   -7.1466    0.0000 C   0  0
    2.3903   -5.7483    0.0000 C   0  0
    3.3277   -4.5763    0.0000 N   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 N   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -5.2007   -2.2289    0.0000 Cl  0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
   -2.5248    2.0134    0.0000 C   0  0
   -2.2261    3.4874    0.0000 C   0  0
   -0.8038    3.9639    0.0000 F   0  0
   -3.3495    4.4814    0.0000 C   0  0
   -4.7720    4.0055    0.0000 C   0  0
   -5.0711    2.5356    0.0000 C   0  0
   -3.9477    1.5416    0.0000 C   0  0
   -4.2488    0.0721    0.0000 F   0  0
    0.9077   -5.5197    0.0000 C   0  0
   -0.0316   -6.6892    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22 16  1  0
 22 23  1  0
 23 12  1  0
 23 24  2  0
 24  9  1  0
 15 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 25  1  0
 31 32  1  0
  7 33  1  0
 33 34  2  0
 34  4  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13236

> <plate>
PLATE 004

> <well>
A6

> <supplier_cmpd_name>
MLN8054

> <ctcr_id>
2454

> <supplier_cmpd_id>
T6315

> <smiles>
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc1

> <pd_targets>
{AURKA,BTK,CLK3,SRC,EPHA4,PTK2,FGFR1,AURKB,FGFR3,FLT4,LYN,TIE1,NTRK3,AXL,EPHB3,ABL1,EGFR,FYN,EPHA3,EPHA5,ROS1,TYRO3,EPHA7,FLT1,MERTK,BLK,EPHB1,LCK,PDGFRA,EPHA1,PLK1,ABL2,FGFR2,PLK4,STK17A,IRAK3,EPHA6,
RPS6KA1,CSNK2A1,CHEK2,YES1,CLK2,AURKC,TEC,HCK,STK17B,BMX,STK10,TNK1,GRK5,CSK,MAPKAPK5,DDR1,EPHB4,FER,PLK3,TEK,EPHA2,FLT3,DAPK2,PTK2B,SIK1,KDR,GABRA1,FGR,MELK,MKNK2,PDPK1,CLK4,PAK1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel","Protein Kinase","GABA-A receptor","Other protein kinase group","TK protein kinase group","CMGC protein kinase group","CAMK protein kinase group
","TKL protein kinase group","AGC protein kinase group","STE protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Tec family","CMGC protein kinase CLK family","Tyrosine pro
tein kinase Src family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Fak family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase 
Tie family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Abl family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Sev family","T
yrosine protein kinase PDGFR family","Other protein kinase PLK family","CAMK protein kinase DAPK family","TKL protein kinase IRAK family","AGC protein kinase RSK family","Other protein kinase CK2 fami
ly","CAMK protein kinase RAD53 family","STE protein kinase STE20 family","Tyrosine protein kinase Ack family","AGC protein kinase GRK family","Tyrosine protein kinase Csk family","CAMK protein kinase 
MAPKAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Fer family","CAMK protein kinase CAMK1 family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase SrcA","AGC pro
tein kinase RSK subfamily","STE protein kinase SLK subfamily","AGC protein kinase GRK subfamily","CAMK protein kinase MAPKAPK subfamily","CAMK protein kinase QIK subfamily","CAMK protein kinase MELK s
ubfamily","CAMK protein kinase MNK subfamily","STE protein kinase PAKA subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-
dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","GABA<sub>A</sub> receptors","Other protein kinases","TK: Tyros
ine kinase","CLK family","Death-associated kinase (DAPK) family","TKL: Tyrosine kinase-like","RSK family","CAMK-like (CAMKL) family","STE20 family","G protein-coupled receptor kinases (GRKs)","MAPK-Ac
tivated Protein Kinase (MAPKAPK) family","PDK1 family","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Polo-like kinase (PLK) family","Interleu
kin-1 receptor-associated kinase (IRAK) family","RSK subfamily","Casein kinase 2 (CK2) family","CHK1 subfamily","SLK subfamily","GRK4 subfamily","MAPKAPK subfamily","QIK subfamily","MELK subfamily","M
KN subfamily","PAKA subfamily","Tec family","Src family","Type XIII RTKs: Ephrin receptor family","Fak family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascul
ar endothelial growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type VII RTKs: Neurotrophin receptor/Trk family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) rec
eptor family","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XVII RTKs: ROS receptors","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Csk family
","Type XVI RTKs: DDR (collagen receptor) family","Fer family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Signal Transduction","Developmental Biology","Cell Cycle",Hemostasis,"Immune System",Metabolism,"Extracellular matrix organization","Programmed Cell Death",
"Circadian Clock","Neuronal System","RNA Polymerase II Transcription","Infectious disease","Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by gro
wth factor receptors and second messengers",Mitotic,"Signaling by GPCR","Cell surface interactions at the vascular wall","Innate Immune System","Cytokine Signaling in Immune system","Metabolism of lip
ids","Non-integrin membrane-ECM interactions","MAPK family signaling cascades",Apoptosis,"Transmission across Chemical Synapses","Generic Transcription Pathway","Leishmania infection","Signaling by NT
RKs","Axon guidance","Signaling by FGFR in disease","M Phase","Signaling by VEGF","GPCR downstream signalling","HIV Infection","Signaling by PDGFR in disease","Mitotic G2-G2/M phases","Toll-like Recep
tor Cascades","Signaling by Interleukins","Phospholipid metabolism","Neutrophil degranulation","Oncogenic MAPK signaling","Signaling by SCF-KIT","MAPK1/MAPK3 signaling","Signaling by Insulin receptor"
,"Caspase activation via extrinsic apoptotic signalling pathway","Neurotransmitter receptors and postsynaptic signal transmission","Transcriptional Regulation by TP53","Parasite infection","Signaling 
by NTRK1 (TRKA)","EPH-Ephrin signaling","Signaling by FGFR1 in disease","Mitotic Metaphase and Anaphase","Signaling by FGFR3 in disease","VEGF ligand-receptor interactions","Leishmania parasite growth
 and survival","Signaling by NTRK3 (TRKC)","VEGFA-VEGFR2 Pathway","G alpha (q) signalling events","Host Interactions of HIV factors","Transcriptional regulation by RUNX1","Drug resistance of PDGFR mut
ants","G2/M Transition","Signaling by ROBO receptors","Signaling by FGFR2 in disease","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor 5 (TLR5) Cascade",Interleukin-3,"Interleukin-5 and GM-CS
F signaling","PI Metabolism","Signaling by RAS mutants","RAF/MAP kinase cascade","Insulin receptor signalling cascade","Caspase activation via Dependence Receptors in the absence of ligand","Interleuk
in-2 family signaling","GABA receptor activation","Regulation of TP53 Activity","Leishmania phagocytosis","Signalling to ERKs","EPHA-mediated growth cone collapse","FGFR1 mutant receptor activation","
Mitotic Anaphase","Signaling by FGFR3 point mutants in cancer","VEGF binds to VEGFR leading to receptor dimerization","Anti-inflammatory response favouring Leishmania parasite infection","Activated NT
RK3 signals through PI3K","EPHB-mediated forward signaling","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX1 regulates transcri
ption of genes involved in BCR signaling","Imatinib-resistant PDGFR mutants","Centrosome maturation","Role of ABL in ROBO-SLIT signaling","FGFR2 mutant receptor activation","Toll Like Receptor TLR6:TL
R2 Cascade","MyD88 cascade initiated on plasma membrane","Synthesis of PIPs at the plasma membrane","Signaling downstream of RAS mutants","IRS-mediated signalling","Interleukin-2 signaling","VEGFR2 me
diated cell proliferation","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","Signalling to RAS","Signaling by activated point mutants of FGFR1","Separation of Siste
r Chromatids","FGFR3 mutant receptor activation","FCGR3A-mediated IL10 synthesis","EGFR Transactivation by Gastrin","Nef and signal transduction","Nef-mediates down modulation of cell surface receptor
s by recruiting them to clathrin adapters","Loss of proteins required for interphase microtubule organization from the centrosome","Activated point mutants of FGFR2","MyD88:MAL(TIRAP) cascade initiate
d on plasma membrane","MAP kinase activation","Regulation of TP53 Expression and Degradation","PI3K Cascade","p38MAPK events","Signaling by activated point mutants of FGFR3","Nef Mediated CD4 Down-reg
ulation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","CREB phosphorylation"}

> <broad_targets>
{AURKA}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{NCGC00346488-01,NCGC0034648801,NCGC00346488-06,NCGC0034648806,MLN8054,869363-13-3,869363133,MLN-8054,"MLN 8054",UNII-BX854EHD63,UNIIBX854EHD63,BX854EHD63,CHEMBL259084,ZZL,Kinome_1204,Kinome1204,Kinom
e-1204,"Kinome 1204",cc-475,cc475,MLS006011043,C25H15ClF2N4O2,SCHEMBL621589,GTPL5696,BDBM31093,CHEBI:91366,DTXSID10235987,cid_11712649,cid11712649,cid-11712649,"cid 11712649",HMS3265K23,T6315,S1100}

> <pdid>
PD011139

> <targets>
{"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{11712649}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    5.8249    2.8874    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1845    2.6395    0.0000 C   0  0
   -2.1785    3.7532    0.0000 C   0  0
   -2.6367    5.1815    0.0000 C   0  0
   -1.6289    6.2925    0.0000 C   0  0
   -0.1628    5.9753    0.0000 C   0  0
    0.2955    4.5470    0.0000 C   0  0
   -0.7123    3.4360    0.0000 C   0  0
    0.8478    7.0848    0.0000 C   0  0
    0.3920    8.5139    0.0000 O   0  0
    2.3142    6.7653    0.0000 N   0  0
    3.3243    7.8743    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  6  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13237

> <plate>
PLATE 004

> <well>
A7

> <supplier_cmpd_name>
Tubastatin A HCl

> <ctcr_id>
726

> <supplier_cmpd_id>
T6161

> <smiles>
Cl.CN1CCc2c(C1)c3ccccc3n2Cc4ccc(cc4)C(=O)NO

> <pd_targets>
{HDAC1,HDAC9,HDAC3,HDAC8,NCOR2,HDAC6,HDAC11,HDAC10,HDAC2,HDAC7,HDAC5,HDAC4}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IIb","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Cell Cycle","Gene expression (Transcription)","Disorders of Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"RNA Polymerase 
II Transcription","Disorders of Nervous System Development","Signaling by NOTCH1 in Cancer","M Phase","Generic Transcription Pathway","Pervasive developmental disorders","Signaling by NOTCH1 HD+PEST D
omain Mutants in Cancer","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX2","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Constitutive Signalin
g by NOTCH1 HD+PEST Domain Mutants","Mitotic Anaphase","RUNX2 regulates bone development","Regulation of TP53 Activity","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the
 NCoR/SMRT complex","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte maturation"}

> <broad_targets>
{HDAC6}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{"Tubastatin A HCl","Tubastatin A hydrochloride",1310693-92-5,1310693925,"Tubastatin A (Hydrochloride)",UHCM2AYJVX,UNII-UHCM2AYJVX,UNIIUHCM2AYJVX,"1310693-92-5 (HCl)","1310693925 (HCl)",1239262-52-2,1
239262522,C20H22ClN3O2,"Tubastatin A HCl salt",cc-256,cc256,CHEMBL3770936,SCHEMBL18526698,AOB6360,E,T6161,S2627}

> <pdid>
PD003582

> <targets>
{HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{57336514}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 N   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 N   0  0
   -2.6016    7.4994    0.0000 C   0  0
   -3.8996    8.2512    0.0000 O   0  0
   -1.3011    8.2485    0.0000 N   0  0
   -1.2986    9.7493    0.0000 C   0  0
    0.0020   10.4984    0.0000 C   0  0
    0.0045   11.9992    0.0000 C   0  0
    1.3050   12.7482    0.0000 C   0  0
    1.3076   14.2491    0.0000 C   0  0
    2.6081   14.9981    0.0000 C   0  0
    2.6106   16.4989    0.0000 C   0  0
    1.3126   17.2507    0.0000 O   0  0
    3.9111   17.2480    0.0000 N   0  0
    3.9137   18.7480    0.0000 O   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13  8  1  0
 13 14  1  0
  7 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13238

> <plate>
PLATE 004

> <well>
A8

> <supplier_cmpd_name>
Citarinostat

> <ctcr_id>
11491

> <supplier_cmpd_id>
T3661

> <smiles>
C1=CC=C(C=C1)N(C2=CC=CC=C2Cl)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO

> <pd_targets>
{HDAC6,HDAC1,HDAC3,HDAC2,HDAC8}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIb","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Disorders of Developmental Biology",Mitotic,"Generic Transcription Pathway","Disorders of Nervous System Deve
lopment","M Phase","Transcriptional regulation by RUNX2","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","RUNX2 regulates bone development","L
oss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Mitotic Anaphase","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 bindi
ng ability to the NCoR/SMRT complex","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids"}

> <broad_targets>
{}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Citarinostat,ACN-030404,ACN030404,CCG-269430,CCG269430,CS-5140,CS5140,DB15449,SB18732,"Compound (I) (WO2016200919)",AC-33086,AC33086,AK160199,AS-74355,AS74355,HY-15994,HY15994,B5936,FT-0700440,FT0700
440,D10918,J-690128,J690128,J-690129,J690129,Q27258687,1316215-12-9,1316215129,HDAC-IN-2,HDACIN2,ACY-241,ACY241,UNII-441P620G3P,UNII441P620G3P,441P620G3P,T3661}

> <pdid>
PD053885

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC6,HDAC8}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{53340426}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    7.7905   -6.0071    0.0000 Cl  0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8983   -0.7549    0.0000 C   0  0
    5.1987   -0.0072    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5944   -6.0070    0.0000 Cl  0  0
    5.1924   -6.0070    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  3  0
  8 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 11  1  0
  5 22  1  0
 22 23  1  0
 22 24  2  0
 24  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13239

> <plate>
PLATE 004

> <well>
A9

> <supplier_cmpd_name>
Ciliobrevin A

> <ctcr_id>
11681

> <supplier_cmpd_id>
T3156

> <smiles>
Clc1ccc(C(=O)C(\C#N)=C2\NC(=O)c3ccccc3N2)c(Cl)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ciliobrevin A",HPI-4,HPI4,302803-72-1,302803721,CiliobrevinA,"Ciliobrevin A(HPI4)",BCP18834,ZINC5706303,ZINC100434768,AK685752,T3156}

> <pdid>
PD041022

> <targets>
{Hedgehog}

> <classes>
{"GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{135486395}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.8991    0.7525    0.0000 C   0  0  1  0  0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 N   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    3.9015   -0.7475    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.1882   -2.6402    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5952   -6.0101    0.0000 O   0  0
    2.5973   -7.5101    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  5 10  1  1
  3 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  2  0
 19  2  1  0
 17 20  1  0
  1 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13240

> <plate>
PLATE 004

> <well>
A10

> <supplier_cmpd_name>
GSK6853

> <ctcr_id>
12492

> <supplier_cmpd_id>
T3311

> <smiles>
N(c1c(N2[C@@H](CNCC2)C)cc2n(C)c(=O)n(c2c1)C)C(=O)c1ccccc1OC

> <pd_targets>
{BRPF1,BRD1,BRD4,BRPF3}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,"Methyl-lysine/arginine binding protein",Bromodomain,"PWWP domain"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Bromodomain-containing proteins","Chromatin modifying enzymes","Non-enzymatic BRD containing proteins","Enzymatic bromodomain-containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","Transcriptional Regulation by TP53","Potential 
therapeutics for SARS","Regulation of TP53 Activity","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GSK6853,1910124-24-1,1910124241,GSK-6853,CHEMBL3828191,"GSK 6853",BCP18335,EX-A1080,EXA1080,BDBM50189403,MFCD30489734,s8265,AKOS032944954,ZINC575623806,CCG-268758,CCG268758,CS-5847,CS5847,BP-25354,BP
25354,BS-16390,BS16390,"GSK6853, >=98 (HPLC)",HY-100220,HY100220,A16330,Q27462469,LF1,T3311}

> <pdid>
PD053474

> <targets>
{BRPF1,BRPF2,BRPF3}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{121232405}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 53 56  0  0  1  0            999 V2000
    2.6044   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.4419    5.7517    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0  1  0  0  0
   -1.3119    8.2497    0.0000 O   0  0
   -1.3120    9.7497    0.0000 C   0  0
   -0.0107   10.4975    0.0000 O   0  0
    1.2880    9.7453    0.0000 C   0  0
    2.5894   10.4937    0.0000 C   0  0
    2.5918   11.4937    0.0000 O   0  0
    2.5003    8.9254    0.0000 O   0  0
    2.0345    7.4995    0.0000 C   0  0  1  0  0  0
    0.5346    7.5018    0.0000 C   0  0  2  0  0  0
    0.0732    8.9291    0.0000 C   0  0  2  0  0  0
   -0.8717    9.2563    0.0000 O   0  0
   -0.0545    6.6937    0.0000 O   0  0
    2.9158    6.2878    0.0000 C   0  0
    4.4076    6.4445    0.0000 O   0  0
   -2.6110   10.4997    0.0000 C   0  0  1  0  0  0
   -3.9100    9.7496    0.0000 C   0  0  2  0  0  0
   -3.9100    8.2496    0.0000 C   0  0  2  0  0  0
   -5.2090    7.4996    0.0000 O   0  0
   -5.1903    8.9680    0.0000 O   0  0
   -4.3820   11.1528    0.0000 C   0  0
   -5.8593   11.4131    0.0000 O   0  0
   -3.4178   12.3030    0.0000 C   0  0
   -3.9309   13.7134    0.0000 C   0  0
   -2.9667   14.8635    0.0000 C   0  0
   -3.4774   16.2739    0.0000 C   0  0
   -2.5114   17.4215    0.0000 C   0  0
   -3.0254   18.8315    0.0000 O   0  0
   -4.5026   19.0922    0.0000 C   0  0
   -1.0346   17.1586    0.0000 C   0  0
   -0.5238   15.7483    0.0000 C   0  0
   -1.4898   14.6008    0.0000 C   0  0
    0.9533   15.4823    0.0000 O   0  0
    1.2925   14.5416    0.0000 C   0  0
   -0.0686   18.3062    0.0000 O   0  0
   -2.6110   11.4997    0.0000 O   0  0
   -3.9056    5.2465    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  6
 20 23  1  1
 19 24  1  6
 24 25  1  0
 13 26  1  0
 26 27  1  0
 27 28  1  0
 28 11  1  0
 28 29  1  1
 27 30  1  6
 27 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  2  0
 40 41  1  0
 41 42  2  0
 42 35  1  0
 41 43  1  0
 43 44  1  0
 40 45  1  0
 26 46  1  1
 10 47  1  0
  5 48  2  0
 48 49  1  0
 49 50  2  0
 50  3  1  0
 50 51  1  0
 49 52  1  0
 52 53  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13241

> <plate>
PLATE 004

> <well>
A11

> <supplier_cmpd_name>
3,6'-Disinapoyl sucrose

> <ctcr_id>
11877

> <supplier_cmpd_id>
T3697

> <smiles>
COc1cc(/C=C/C(=O)C([C@H]2OC(OC3(CO)O[C@@H]([C@H]([C@@H]3O)O)CO)[C@@H]([C@]([C@@H]2O)(O)C(=O)/C=C/c2cc(OC)c(c(c2)OC)O)O)O)cc(c1O)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"3,6'-D ISINAPOYL SUCROSE","3,6'D ISINAPOYL SUCROSE",T3697,"3,6'-Disinapoyl sucrose"}

> <pdid>
PD098982

> <targets>
{Bcl-2,CREB}

> <classes>
{Apoptosis,Chromatin/Epigenetic}

> <pubchem_cids>
{90469955}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    2.3208  -14.6486    0.0000 O   0  0
    2.0021  -13.1829    0.0000 C   0  0
    0.5725  -12.7262    0.0000 O   0  0
   -0.5379  -13.7347    0.0000 C   0  0
    3.1131  -12.1738    0.0000 C   0  0
    4.5426  -12.6282    0.0000 C   0  0
    5.6509  -11.6174    0.0000 C   0  0
    5.3296  -10.1522    0.0000 C   0  0
    6.4380   -9.1414    0.0000 O   0  0
    3.9001   -9.6977    0.0000 C   0  0
    3.5757   -8.2324    0.0000 N   0  0
    2.1448   -7.7797    0.0000 C   0  0
    1.8204   -6.3144    0.0000 C   0  0
    0.3895   -5.8617    0.0000 O   0  0
    0.0651   -4.3964    0.0000 C   0  0
   -1.3644   -3.9419    0.0000 C   0  0
   -1.6856   -2.4767    0.0000 C   0  0
   -0.5773   -1.4659    0.0000 C   0  0
   -1.3807   -0.1983    0.0000 C   0  0
   -1.9960   -1.8861    0.0000 C   0  0
    0.0327   -0.3280    0.0000 C   0  0
    1.2124    0.4527    0.0000 C   0  0
    0.7083   -1.0580    0.0000 C   0  0
   -0.7725   -1.0114    0.0000 C   0  0
   -1.2994    0.4363    0.0000 C   0  0
   -0.7655    1.9188    0.0000 C   0  0
    0.7215    1.8550    0.0000 C   0  0
   -1.8323    1.0426    0.0000 C   0  0
    0.8522   -1.9204    0.0000 C   0  0
    1.1734   -3.3856    0.0000 C   0  0
    1.0383   -8.7924    0.0000 O   0  0
    2.7918  -10.7086    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 26 28  1  0
 28 19  1  0
 18 29  1  0
 29 30  2  3
 30 15  1  0
 12 31  2  0
 10 32  2  3
 32  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13242

> <plate>
PLATE 004

> <well>
B2

> <supplier_cmpd_name>
LW6

> <ctcr_id>
11788

> <supplier_cmpd_id>
T3494

> <smiles>
O=C(OC)C1=CC=C(O)C(NC(COC2=CC=C(C3(C4)CC5CC4CC(C5)C3)C=C2)=O)=C1

> <pd_targets>
{HIF1A,MDH2,MDH1,EPAS1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Cellular responses to stress","Metabolism of carbohydrates","Cellular response to hypoxia","Glucose metabolism","Oxygen-dependent proline hydroxyl
ation of Hypoxia-inducible Factor Alpha",Gluconeogenesis}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{934593-90-5,934593905,LW6,CAY10585,"LW 6","HIF-1alpha inhibitor;LW8","HIF1alpha inhibitor;LW8",CHEMBL427092,"methyl 3-((2-(4-(1-adamantyl)phenoxy)acetyl)amino)-4-hydroxybenzoate","methyl 3((2(4(1adam
antyl)phenoxy)acetyl)amino)4hydroxybenzoate",C26H29NO5,"methyl 3-(2-(4-(adamantan-1-yl)phenoxy)acetamido)-4-hydroxybenzoate","methyl 3(2(4(adamantan1yl)phenoxy)acetamido)4hydroxybenzoate",OTAVA-BB,OTA
VABB,SCHEMBL2721636,HIF,T3494}

> <pdid>
PD015775

> <targets>
{HIF-1,Apoptosis,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{16124726}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 10  1  0
 22 23  2  0
 21 24  2  0
 24 13  1  0
 24 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13243

> <plate>
PLATE 004

> <well>
B3

> <supplier_cmpd_name>
Scriptaid

> <ctcr_id>
283

> <supplier_cmpd_id>
T6980

> <smiles>
ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23

> <pd_targets>
{KMT2A,MEN1,HDAC1,HDAC9,HDAC4,HDAC7,HDAC3,NCOR2,HDAC5,HDAC6,HDAC2,HDAC8,HDAC10,ALDH1A1,HDAC11,LTA4H,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor",Reader,Eraser,Oxidoreductase,Protease,"Nuclear receptor",Bromodomain,"Histone deacetylase","Metallo protease","Nuclear hormone receptor subfamily 
1","HDAC class I","HDAC class IIa","HDAC class IIb","HDAC class IV","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Metallo protease M1 family","Nuclear hormone receptor su
bfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","3.5.1.- Histone deacetylases (HDACs)","MA: Metallo (M) Peptidases","1F. Retinoic acid-related
 orphans","M1: Aminopeptidase N"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle",Metabolism,"Disorders of Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymera
se II Transcription",Mitotic,"Biological oxidations","Metabolism of lipids","Disorders of Nervous System Development","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","M Phase","Phase I
 - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Pervasive developmental disorders","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcription
al regulation by RUNX2","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Loss of func
tion of MECP2 in Rett syndrome","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates bone development","Regulation of TP53 Activity","Mitotic Anaphase","Biosynthesis of aspirin-t
riggered D-series resolvins","RUNX3 Regulates Immune Response and Cell Migration","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to 
the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{scriptaid,287383-59-9,287383599,Scriptide,"6-(1,3-Dioxo-1H-benzo(de)isoquinolin-2(3H)-yl)-N-hydroxyhexanamide","6(1,3Dioxo1Hbenzo(de)isoquinolin2(3H)yl)Nhydroxyhexanamide","GCK 1026",GNF-PF-2024,GNFP
F2024,Scriptide;GCK1026,"6-(1,3-dioxobenzo(de)isoquinolin-2-yl)-N-hydroxyhexanamide","6(1,3dioxobenzo(de)isoquinolin2yl)Nhydroxyhexanamide",EJQ8CD8BSV,UNII-EJQ8CD8BSV,UNIIEJQ8CD8BSV,6-(1,6(1,3-Dioxo-1
,3Dioxo1,T6980,S8043,Scriptaid,Scriptaid}

> <pdid>
PD010468

> <targets>
{HDAC,Apoptosis,Autophagy,Influenza Virus}

> <classes>
{DNA Damage,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5186}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    1.4851   -1.5024    0.0000 C   0  0
    2.1092   -0.1384    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0  2  0  0  0
    2.7248   -1.2135    0.0000 C   0  0  1  0  0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 O   0  0
    5.1253   -4.3743    0.0000 C   0  0
    4.1234   -5.4906    0.0000 N   0  0
    6.5929   -4.6843    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6281    2.3993    0.0000 C   0  0
    5.0501    1.9218    0.0000 C   0  0
    6.3350    1.1594    0.0000 N   0  0
    5.0354    0.4219    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  4 10  1  0
 10 11  2  3
 11 12  1  0
 12  3  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  1
 16  3  1  0
 16 14  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 10  1  0
 22 23  2  0
 19 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13245

> <plate>
PLATE 004

> <well>
B5

> <supplier_cmpd_name>
Mitomycin C

> <ctcr_id>
1138

> <supplier_cmpd_id>
T6890

> <smiles>
CO[C@]12[C@@H](COC(N)=O)C3=C(N1CC4N[C@@H]24)C(=O)C(=C(N)C3=O)C

> <pd_targets>
{IDO1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.13.11.- Dioxygenases"}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Tryptophan catabolism"}

> <broad_targets>
{}

> <broad_moa>
{"DNA alkylating agent","DNA synthesis inhibitor"}

> <synonyms>
{LSM-1590,LSM1590,SR-05000001845,SR05000001845,Spectrum2_000920,Spectrum2000920,Spectrum2-000920,"Spectrum2 000920",Spectrum3_001792,Spectrum3001792,Spectrum3-001792,"Spectrum3 001792",Spectrum4_00092
9,Spectrum4000929,Spectrum4-000929,"Spectrum4 000929",Spectrum5_001888,Spectrum5001888,Spectrum5-001888,"Spectrum5 001888",BSPBio_003343,BSPBio003343,BSPBio-003343,"BSPBio 003343",KBioGR_001458,KBioGR
001458,KBioGR-001458,"KBioGR 001458",SPECTRUM330002,DivK1c_001034,DivK1c001034,DivK1c-001034,"DivK1c 001034",SPBio_000800,SPBio000800,SPBio-000800,"SPBio 000800",CHEBI:91730,HMS503O09,KBio1_001034,KBi
o1001034,KBio1-001034,"KBio1 001034",KBio3_002845,KBio3002845,KBio3-002845,"KBio3 002845",NINDS_001034,NINDS001034,NINDS-001034,"NINDS 001034",HMS1923I11,HMS2091C19,330002,"MITOMYCIN C"}

> <pdid>
PD001946

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{5702003}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 41 42  0  0  1  0            999 V2000
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1895   -6.0109    0.0000 C   0  0  1  0  0  0
    6.4890   -5.2601    0.0000 C   0  0
    6.4895   -3.7593    0.0000 C   0  0
    7.7891   -3.0085    0.0000 C   0  0
    7.7896   -1.5076    0.0000 C   0  0
    9.0891   -0.7568    0.0000 N   0  0
    9.0896    0.7440    0.0000 C   0  0
   10.3892    1.4948    0.0000 C   0  0
   10.3897    2.9956    0.0000 C   0  0
   11.6892    3.7464    0.0000 C   0  0
   11.6897    5.2472    0.0000 C   0  0
   12.9892    5.9980    0.0000 C   0  0
   12.9897    7.4988    0.0000 C   0  0
   14.2893    8.2496    0.0000 C   0  0
   14.2898    9.7505    0.0000 C   0  0
   15.5893   10.5013    0.0000 C   0  0
   15.5898   12.0021    0.0000 C   0  0
   16.8894   12.7529    0.0000 C   0  0
   16.8899   14.2537    0.0000 C   0  0
   18.1887   15.0041    0.0000 C   0  0
    7.7906    1.4940    0.0000 S   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7798  -10.5202    0.0000 C   0  0
    7.7746  -12.0202    0.0000 C   0  0
    6.4729  -12.7657    0.0000 C   0  0
    5.1765  -12.0112    0.0000 C   0  0
    5.1817  -10.5112    0.0000 C   0  0
    3.8869   -8.2594    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10  5  1  0
  2 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 18 32  2  0
 12 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  3
 36 37  1  0
 37 38  2  3
 38 39  1  0
 39 40  2  3
 40 35  1  0
 33 41  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13246

> <plate>
PLATE 004

> <well>
B6

> <supplier_cmpd_name>
Thiomyristoyl

> <ctcr_id>
11622

> <supplier_cmpd_id>
T3447

> <smiles>
O=C(OCC1=CC=CC=C1)N[C@@H](CCCCNC(CCCCCCCCCCCCC)=S)C(NC2=CC=CC=C2)=O

> <pd_targets>
{SIRT2,SIRT1}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Mito
tic Anaphase","Regulation of FOXO transcriptional activity by acetylation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Thiomyristoyl,1429749-41-6,1429749416,CHEMBL4129995,EX-A4227,EXA4227,BDBM50276140,MFCD30738003,NSC773409,s8245,ZINC616570764,CCG-270137,CCG270137,CS-6258,CS6258,NSC-773409,BS-15398,BS15398,HY-101278,
HY101278,T3447}

> <pdid>
PD064063

> <targets>
{SIRT1,SIRT2,Sirtuin}

> <classes>
{Chromatin/Epigenetic,DNA Damage/DNA Repair,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{126843233}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 10  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
    7.7999   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13247

> <plate>
PLATE 004

> <well>
B7

> <supplier_cmpd_name>
Daminozide

> <ctcr_id>
13488

> <supplier_cmpd_id>
T3719

> <smiles>
CN(C)NC(=O)CCC(=O)O

> <pd_targets>
{KDM2A,KDM7A,PHF8}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Chromatin organization",Disease,"Cell Cycle","Chromatin modifying enzymes","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"HDMs demethylate histones","Onc
ogenic MAPK signaling","M Phase","Signaling by BRAF and RAF fusions","Mitotic Prophase","Condensation of Prophase Chromosomes"}

> <broad_targets>
{KDM2A,KDM7A,PHF8}

> <broad_moa>
{"KDM2A inhibitor"}

> <synonyms>
{Daminozide,1596-84-5,1596845,Aminozide,"Succinic acid 2,2-dimethylhydrazide","Succinic acid 2,2dimethylhydrazide",DMASA,Kylar,ALAR,"N-(Dimethylamino)succinamic acid","N(Dimethylamino)succinamic acid"
,SADH,B-Nine,BNine,Dimas,DYaK,"Butanedioic acid, mono(2,2-dimethylhydrazide)","Butanedioic acid, mono(2,2dimethylhydrazide)","Alar 85",4-(2,4(2,2-dimethylhydrazinyl)-4-oxobutanoic,2dimethylhydrazinyl)
4oxobutanoic,T3719}

> <pdid>
PD012692

> <targets>
{KDM2/7 JmjC,Histone Demethylase}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{15331}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
   11.0124   -1.9307    0.0000 C   0  0
   11.1668   -3.4228    0.0000 C   0  0
    9.7955   -4.0307    0.0000 C   0  0
    8.8153   -2.9121    0.0000 C   0  0
    7.3221   -3.0635    0.0000 N   0  0
    6.4437   -1.8466    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
    9.5457   -1.6165    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  3  0
  4 20  1  0
 20  1  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13248

> <plate>
PLATE 004

> <well>
B8

> <supplier_cmpd_name>
Remodelin

> <ctcr_id>
13496

> <supplier_cmpd_id>
T3499

> <smiles>
C1CCC(=NNc2nc(cs2)c2ccc(cc2)C#N)C1

> <pd_targets>
{MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB"}

> <broad_targets>
{NAT10}

> <broad_moa>
{"transferase inhibitor"}

> <synonyms>
{Remodelin,949912-58-7,949912587,CHEMBL399572,4-(2-(2-cyclopentylidenehydrazinyl)thiazol-4-yl)benzonitrile,4(2(2cyclopentylidenehydrazinyl)thiazol4yl)benzonitrile,"4-(2-(2-cyclopentylidenehydrazinyl)-
1,3-thiazol-4-yl)benzonitrile","4(2(2cyclopentylidenehydrazinyl)1,3thiazol4yl)benzonitrile",GTPL8102,SCHEMBL17144586,BCP11087,EX-A1315,EXA1315,BDBM50326653,ZINC28951699,AKOS02529349,T3499}

> <pdid>
PD016396

> <targets>
{NAT10}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{44442376}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.6946   -5.8864    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -4.4994   -8.4778    0.0000 C   0  0
   -5.9950   -8.5931    0.0000 C   0  0
   -6.6430   -9.9460    0.0000 C   0  0
   -5.7954  -11.1835    0.0000 C   0  0
   -4.2998  -11.0683    0.0000 N   0  0
   -3.6518   -9.7155    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
 12  8  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13249

> <plate>
PLATE 004

> <well>
B9

> <supplier_cmpd_name>
Niraparib

> <ctcr_id>
6303

> <supplier_cmpd_id>
T3231

> <smiles>
NC(=O)c1cccc2cn(nc12)c3ccc(cc3)C4CCCNC4

> <pd_targets>
{TNKS,PARP1,PARP10,PARP4,PARP2,PARP3,TNKS2,PARP12,PARP14,PARP15}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"Signal Transduction",Disease,"DNA Repair","Intracellular signaling by second messengers","Infectious disease","Base Excision Repair","PIP3 activates AKT signaling","Influenza Infection","SARS-CoV In
fections","Resolution of Abasic Sites (AP sites)","PTEN Regulation","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 Infection","Resolution of AP sites via the multiple-nucleotide patch
 replacement pathway","Regulation of PTEN stability and activity","vRNA Synthesis","Translation of structural proteins","POLB-Dependent Long Patch Base Excision Repair","Maturation of nucleoprotein"}

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{"K4827 (NIRAPARIB",1038915-75-1,1038915751,"MK-4827 Racemate","MK4827 Racemate",2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide,2(4(piperidin3yl)phenyl)2Hindazole7carboxamide,2-(4-piperidin-3-
ylphenyl)indazole-7-carboxamide,2(4piperidin3ylphenyl)indazole7carboxamide,CHEMBL1098298,"Niraparib Racemate;MK4827 Racemate;MK 4827 Racemate","MK-4827 (R-enantiomer)","MK4827 (Renantiomer)",MK-,MK,T3
231,S2741,Niraparib,"MK-4827 (Niraparib)"}

> <pdid>
PD012925

> <targets>
{PARP}

> <classes>
{}

> <pubchem_cids>
{24958198}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 38  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   14.3447    2.5945    0.0000 N   0  0
   14.3421    4.0945    0.0000 C   0  0
   15.6400    4.8463    0.0000 O   0  0
   13.0407    4.8422    0.0000 C   0  0
   13.0407    6.3422    0.0000 C   0  0
   11.7417    7.0922    0.0000 C   0  0
   10.4427    6.3422    0.0000 C   0  0
   10.4427    4.8422    0.0000 C   0  0
    9.3284    3.8392    0.0000 C   0  0
    9.9385    2.4689    0.0000 N   0  0
   11.4303    2.6257    0.0000 N   0  0
   11.7417    4.0922    0.0000 C   0  0
    9.1881    1.1692    0.0000 C   0  0
    7.6973    1.0576    0.0000 C   0  0
    7.0471   -0.2942    0.0000 C   0  0
    7.8928   -1.5331    0.0000 C   0  0
    9.3885   -1.4202    0.0000 C   0  0
   10.0386   -0.0684    0.0000 C   0  0
    7.2423   -2.8856    0.0000 C   0  0  2  0  0  0
    5.7467   -3.0009    0.0000 C   0  0
    5.0987   -4.3538    0.0000 C   0  0
    5.9463   -5.5913    0.0000 C   0  0
    7.4419   -5.4761    0.0000 N   0  0
    8.0899   -4.1233    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 15  1  0
 23 19  1  0
 21 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 30 27  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13250

> <plate>
PLATE 004

> <well>
B10

> <supplier_cmpd_name>
Niraparib tosylate

> <ctcr_id>
11626

> <supplier_cmpd_id>
T6892

> <smiles>
Cc1ccc(cc1)S(=O)(=O)O.NC(=O)c1cccc2cn(nc12)c1ccc(cc1)[C@@H]1CCCNC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{1038915-73-9,1038915739,"MK-4827 tosylate","MK4827 tosylate","Niraparib tosylate","MK-4827 (tosylate)","MK4827 (tosylate)",UNII-75KE12AY9U,UNII75KE12AY9U,"Niraparib (tosylate)",75KE12AY9U,"MK-4827(Ni
raparib) tosylate","MK4827(Niraparib) tosylate","1038915-73-9 (tosylate)","1038915739 (tosylate)","MK 4827 tosylate","Niraparib (MK-4827) tosylate","Niraparib (MK4827) tosylate",Nir,T6892}

> <pdid>
PD012925

> <targets>
{PARP1,PARP2,Apoptosis,PARP}

> <classes>
{Chromatin/Epigenetic,DNA Damage/DNA Repair,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{78357761}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    5.2029   -2.9932    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   0  0
    9.0971   -0.7319    0.0000 C   0  0
    9.0919    0.7681    0.0000 C   0  0
    7.7903    1.5136    0.0000 C   0  0
    6.4939    0.7591    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15  5  1  0
 15  9  2  0
  2 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13251

> <plate>
PLATE 004

> <well>
B11

> <supplier_cmpd_name>
UPF 1069

> <ctcr_id>
1122

> <supplier_cmpd_id>
T6181

> <smiles>
O=C(COc1cccc2C(=O)NC=Cc12)c3ccccc3

> <pd_targets>
{PARP1,PARP14,PARP3,PARP2,PARP10,TNKS}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"DNA Repair","Signal Transduction","Infectious disease","Base Excision Repair","Intracellular signaling by second messengers","Influenza Infection","SARS-CoV Infections","Resolution of Abasic
 Sites (AP sites)","PIP3 activates AKT signaling","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 Infection","Resolution of AP sites via the multiple-nucleotide patch replacement pathw
ay","PTEN Regulation","vRNA Synthesis","Translation of structural proteins","POLB-Dependent Long Patch Base Excision Repair","Regulation of PTEN stability and activity","Maturation of nucleoprotein"}

> <broad_targets>
{PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{"UPF 1069",1048371-03-4,1048371034,UPF-1069,UPF1069,5-Phenacyloxy-2H-isoquinolin-1-one,5Phenacyloxy2Hisoquinolin1one,5-(2-Oxo-2-phenylethoxy)isoquinolin-1(2H)-one,5(2Oxo2phenylethoxy)isoquinolin1(2H)
one,CHEMBL4089840,SCHEMBL18548812,AOB5210,DTXSID40648425,EX-A287,EXA287,HMS3414B17,HMS3653L04,HMS3678B17,BCP27998,2785AH,BDBM50232347,T6181,S8038}

> <pdid>
PD010471

> <targets>
{PARP}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{25015515}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 F   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8919   -5.2525    0.0000 F   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4946   -3.7543    0.0000 C   0  0
    7.7945   -3.0041    0.0000 N   0  0
    9.0950   -3.7516    0.0000 C   0  0
   10.3927   -2.9992    0.0000 C   0  0
   10.3899   -1.4992    0.0000 O   0  0
    9.0894   -0.7517    0.0000 C   0  0
    7.7918   -1.5041    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 C   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 C   0  0
    0.3387   -8.7487    0.0000 C   0  0
   -0.1635  -10.1569    0.0000 C   0  0
    0.8088  -11.2991    0.0000 C   0  0
    2.2841  -11.0281    0.0000 N   0  0
    2.7871   -9.6150    0.0000 C   0  0
    1.8148   -8.4728    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  4 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 26  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13252

> <plate>
PLATE 004

> <well>
C2

> <supplier_cmpd_name>
NVP-BSK805

> <ctcr_id>
8280

> <supplier_cmpd_id>
T5049

> <smiles>
Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2,ABL1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase Abl family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family","Abl family"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Leis
hmania infection","Interleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Parasite infection","Interleukin-15 signaling","ISG15 ant
iviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{VPBSK80,NVP-BSK805,NVPBSK805,1092499-93-8,1092499938,CHEMBL1092926,"BSK 805",DQX,"NVP-BSK 805 HCl","NVPBSK 805 HCl",C27H30Cl2F2N6O,"NVP-BSK 805","NVPBSK 805",SCHEMBL2800994,EX-A286,EXA286,BCP29570,BD
BM50315231,MFCD22419018,ZINC49070412,CS-1629,CS1629,NCGC00263202-01,NCGC0026320201,NCGC00263202-08,NCGC0026320208,AC-28460,AC28460,AK473881,HY-14722,HY14722,X7514,Q,T5049,T6294,HY-14722,"NVP-BSK805 2H
Cl (1092499-93-8(free base))",NVP-BSK805,"NVP BSK 805"}

> <pdid>
PD003577

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{46398810}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    8.5595   -0.4229    0.0000 C   0  0
    7.5286    0.6667    0.0000 C   0  0
    6.0527    0.4836    0.0000 C   0  0
    5.3906    1.8153    0.0000 S   0  0
    6.4740    2.8527    0.0000 C   0  0
    7.7954    2.1428    0.0000 N   0  0
    6.2715    4.3397    0.0000 C   0  0
    4.9339    5.0074    0.0000 C   0  0
    4.8439    6.5047    0.0000 N   0  0
    6.0956    7.3313    0.0000 C   0  0
    7.4373    6.6606    0.0000 C   0  0
    7.5273    5.1633    0.0000 C   0  0
    5.3397   -0.8371    0.0000 C   0  0
    6.1269   -2.1139    0.0000 O   0  0
    3.8395   -0.8809    0.0000 N   0  0
    3.1265   -2.2016    0.0000 C   0  0
    3.9144   -3.4780    0.0000 C   0  0
    3.2029   -4.7985    0.0000 C   0  0
    1.7035   -4.8426    0.0000 C   0  0
    0.9157   -3.5662    0.0000 C   0  0
    1.6321   -2.2464    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -0.4623    2.7009    0.0000 C   0  0
   -1.9623    2.7008    0.0000 C   0  0
   -2.4258    1.2743    0.0000 S   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    0.4164    3.9144    0.0000 C   0  0
   -0.1953    5.2849    0.0000 N   0  0
    0.6827    6.5011    0.0000 C   0  0
    0.0685    7.8696    0.0000 C   0  0
   -1.4238    8.0219    0.0000 O   0  0
   -2.3018    6.8058    0.0000 C   0  0
   -1.6876    5.4373    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  3 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  2  0
 29 22  1  0
 25 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13253

> <plate>
PLATE 004

> <well>
C3

> <supplier_cmpd_name>
SRT2104

> <ctcr_id>
11628

> <supplier_cmpd_id>
T6679

> <smiles>
Cc1c(sc(n1)c1cnccc1)C(=O)Nc1ccccc1c1cn2c(csc2n1)CN1CCOCC1

> <pd_targets>
{SIRT1}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","Regulation of FOXO transcriptional activity by acetylation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT activator"}

> <synonyms>
{1093403-33-8,1093403338,SRT2104,"sirtuin modulator",SRT-2104,"SRT2104 (GSK2245840)","SRT 2104",GSK2245840,UNII-4521NR0J09,UNII4521NR0J09,4521NR0J09,C26H24N6O2S2,SCHEMBL964014,GTPL9515,CHEMBL4297436,D
TXSID00648729,BCP17468,EX-A1287,EXA1287,4043AH,"compound 4 (Ng et al., 2013)",s779,T6679}

> <pdid>
PD012608

> <targets>
{SIRT1,Sirtuin}

> <classes>
{Chromatin/Epigenetic,DNA Damage/DNA Repair,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{25108829}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.4903   -8.2457    0.0000 C   0  0
    5.1926   -7.4935    0.0000 C   0  0
    5.1956   -5.9927    0.0000 C   0  0
    3.8979   -5.2404    0.0000 O   0  0
    6.4964   -5.2441    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    3.8918   -8.2421    0.0000 C   0  0
    3.8865   -9.7421    0.0000 C   0  0
    2.5849  -10.4876    0.0000 C   0  0
    1.2885   -9.7332    0.0000 C   0  0
    1.2936   -8.2332    0.0000 C   0  0
    2.5952   -7.4877    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 13  1  0
 23 18  1  0
 10 24  2  0
 24  6  1  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13254

> <plate>
PLATE 004

> <well>
C4

> <supplier_cmpd_name>
Salermide

> <ctcr_id>
8256

> <supplier_cmpd_id>
T3953

> <smiles>
CC(C(=O)Nc1cccc(N\C=C\2/C(=O)C=Cc3ccccc23)c1)c4ccccc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1105698154,1105698_15_4,"1105698 15 4",CHEMBL597845,N-(3-((2-oxo-1-naphthalenylidene)methylamino)phenyl)-2-phenylpropanamide,N(3((2oxo1naphthalenylidene)methylamino)phenyl)2phenylpropanamide,N_(3_((2
_oxo_1_naphthalenylidene)methylamino)phenyl)_2_phenylpropanamide,"N (3 ((2 oxo 1 naphthalenylidene)methylamino)phenyl) 2 phenylpropanamide",Salemide,SCHEMBL8103931,"Salermide, >=98 (HPLC)",SCHEMBL1644
5054,CHEBI:94426,AOB5646,DTXSID70693943,HMS3648G04,BCP19469,EX-A1238,EXA1238,EX_A1238,"EX A1238",2029AH,BDBM5030,13178,salermide}

> <pdid>
PD065022

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135659046}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    7.7869   -6.0256    0.0000 C   0  0
    6.4915   -5.2692    0.0000 O   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -3.8794    1.4442    0.0000 C   0  0
   -4.8818    2.5602    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.5701    4.1788    0.0000 C   0  0
   -0.0400    5.5491    0.0000 C   0  0
   -1.5318    5.7059    0.0000 C   0  0
   -2.4135    4.4923    0.0000 C   0  0
   10.2876   -1.2760    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  2  0
 22 14  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13255

> <plate>
PLATE 004

> <well>
C5

> <supplier_cmpd_name>
HLCL-61 hydrochloride

> <ctcr_id>
12530

> <supplier_cmpd_id>
T6857

> <smiles>
COc1ccccc1CNCc1cc2c(cc1)n(CC)c1c2cccc1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PRMT5}

> <broad_moa>
{"protein arginine N-methyltransferase inhibitor"}

> <synonyms>
{"LCL61 HYDROCHLORID","HLCL-61 hydrochloride","HLCL61 hydrochloride",1158279-20-9,1158279209,"Hlcl-61 HCl","Hlcl61 HCl","HLCL-61 (hydrochloride)","HLCL61 (hydrochloride)",HLCL61,"1-(9-Ethyl-9H-carbazo
l-3-yl)-N-(2-methoxybenzyl)methanamine hydrochloride","1(9Ethyl9Hcarbazol3yl)N(2methoxybenzyl)methanamine hydrochloride","1158279-20-9 (HCl)","1158279209 (HCl)",BCP20660,EX-A1869,EXA1869,MFCD09446681,
s8209,AKOS030526278,T6857}

> <pdid>
PD062716

> <targets>
{PRMT5}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{17208222}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 N   0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 N   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21  1  1  0
  1 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13256

> <plate>
PLATE 004

> <well>
C6

> <supplier_cmpd_name>
MCB-613

> <ctcr_id>
12352

> <supplier_cmpd_id>
T6886

> <smiles>
C1(C/C(=C\c2cnccc2)/C(=O)/C(=C/c2cnccc2)/C1)CC

> <pd_targets>
{MAPT,ALDH1A1,LMNA,HTT,FFP,TGR,HSP90AA1,RORC}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Other nuclear protein","Unclassified protein","Transcription factor",Oxidoreductase,Transferase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear ho
rmone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Heat shock proteins","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Cell Cycle","Gene expression (Transcription)","Transmission across Chemical Synapses","Biological oxidations",Mitotic,"RNA Polymerase II Transcription","Neurotransmitter
 receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","M Phase","Generic Transcription Pathway","Mitotic G2-G2/M phases","Activation of NMDA receptors and postsyn
aptic events","Ethanol oxidation","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","G2/M Transition","Transcriptional regulation by RUNX3","Post NMDA receptor activation events",
"Mitotic Anaphase","Regulation of MECP2 expression and activity","Centrosome maturation","RUNX3 Regulates Immune Response and Cell Migration","Activation of AMPK downstream of NMDARs","Nuclear Envelop
e (NE) Reassembly","Loss of proteins required for interphase microtubule organization from the centrosome","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CB61,MCB-613,MCB613,1162656-22-5,1162656225,"(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one","(2E,6E)4ethyl2,6bis(pyridin3ylmethylidene)cyclohexan1one","(2E,6E)-4-ethyl-2,6-bis(3-py
ridylmethylene)cyclohexan-1-one","(2E,6E)4ethyl2,6bis(3pyridylmethylene)cyclohexan1one","(2E,6E)-4-ethyl-2,6-bis((pyridin-3-yl)methylidene)cyclohexan-1-one","(2E,6E)4ethyl2,6bis((pyridin3yl)methyliden
e)cyclohexan1one",Cyclohexanone,4-ethyl-2,4ethyl2,6-,6,T6886}

> <pdid>
PD017405

> <targets>
{Src}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{2175947}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
    7.4223   -2.8043    0.0000 O   0  0
    6.4202   -1.6882    0.0000 C   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    6.3495    2.2805    0.0000 N   0  0
    7.8167    2.5927    0.0000 C   0  0
    8.2800    4.0194    0.0000 C   0  0
    7.2761    5.1339    0.0000 O   0  0
    5.8089    4.8218    0.0000 C   0  0
    5.3456    3.3952    0.0000 C   0  0
    4.4160    0.5441    0.0000 O   0  0
    3.9504   -0.8818    0.0000 C   0  0
    4.9525   -1.9980    0.0000 C   0  0
    4.2013   -3.2954    0.0000 S   0  0
    2.7345   -2.9814    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  4 11  1  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 25 26  2  0
 26 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13257

> <plate>
PLATE 004

> <well>
C7

> <supplier_cmpd_name>
SF2523

> <ctcr_id>
11630

> <supplier_cmpd_id>
T3986

> <smiles>
O=c1cc(N2CCOCC2)oc2c1scc2c1ccc2OCCOc2c1

> <pd_targets>
{PIK3CA,PIK3CD,PIK3R1,PIM1,PIK3CG,PIK3R2,MTOR,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","CAMK protein kinase group","Atypical protein kinase group","CAMK protein kinase PIM family","Atypical protein kinase PIKK family","Atypical protein kinase 
FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Lipid modifying kinases","Phosphatidylinositol kinases","CAMK: Calcium/calmodulin-dependent protein kinases",Atypical,Phosphatidylinosit
ol-4,"5-bisphosphate 3-kinase family","PIM family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Immune System",Metabolism,"Signal Transduction","Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Im
mune system","Metabolism of lipids","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Signaling by FGFR in disease","Signaling by Interleukins","FLT3 signaling in disease","P
hospholipid metabolism","Signaling by Insulin receptor","Generic Transcription Pathway","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FLT3 ITD and TK
D mutants","PI Metabolism","Insulin receptor signalling cascade","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","STAT5 activation downstre
am of FLT3 ITD mutants","Synthesis of PIPs at the plasma membrane","IRS-mediated signalling","Regulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of T
P53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SF2523,1174428-47-7,1174428477,SF-2523,CHEMBL2322228,SCHEMBL2850172,"SF2523 pound>>SF 2523",BCP25252,EX-A1381,EXA1381,BDBM50427453,NSC791024,s8589,AKOS032960486,ZINC101661736,CCG-268310,CCG268310,CS-
6474,CS6474,NSC-791024,SB18840,SF2523?,AC-31531,AC31531,BS-14591,BS14591,HY-101146,HY101146,82V,T3986}

> <pdid>
PD060806

> <targets>
{PI3K,DNA-PK,"Epigenetic Reader Domain",mTOR,BRD4,PI3K¦Á,PI3K¦Ã}

> <classes>
{"DNA Damage/DNA Repair",Chromatin/Epigenetic,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{44180156}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    9.9701    3.5733    0.0000 H   0  3
    7.4701    3.5733    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5497    4.4223    0.0000 C   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -2.5428    7.0227    0.0000 C   0  0
   -1.7883    8.3192    0.0000 C   0  0
   -0.2883    8.3139    0.0000 N   0  0
    0.4571    7.0123    0.0000 C   0  0
   -0.2974    5.7159    0.0000 C   0  0
    0.4693    9.6095    0.0000 C   0  0
    1.9701    9.6022    0.0000 C   0  0
    2.7291   10.8960    0.0000 C   0  0
    4.2291   10.8856    0.0000 C   0  0
    4.9701    9.5814    0.0000 C   0  0
    4.2111    8.2876    0.0000 C   0  0
    2.7111    8.2980    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8805    1.4409    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
  9 24  1  0
 24 25  2  0
 24 26  1  0
 26  7  2  0
 26 27  1  0
 27 28  2  0
 28  5  1  0
 28 29  1  0
 29 30  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13258

> <plate>
PLATE 004

> <well>
C8

> <supplier_cmpd_name>
Donepezil HCl

> <ctcr_id>
472

> <supplier_cmpd_id>
T6478

> <smiles>
[H+].[Cl-].COc1cc2CC(CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC

> <pd_targets>
{ACHE,BCHE,CHAT,BACE1,SIGMAR1,MAOB,CYP3A4,KCNH2,HRH3,KDM4E,ABCB11,ABCC4,ABCB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,HTR2A,NOS1,TNFAIP6,IL1B,NFKB1,NFKB2,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Epigenetic regulator",Transporter,"Secreted protein",Hydrolase,Transferase,Protease,Oxidoreductase,"Cytochrome P450","Voltage-gated ion channel","Family A G 
protein-coupled receptor",Eraser,"Primary active transporter","Ligand-gated ion channel","Aspartic protease","Cytochrome P450 family 3","Potassium channels","Small molecule receptor (family A GPCR)","
Lysine demethylase","ATP-binding cassette","Voltage-gated calcium channel","Ionotropic glutamate receptor","Aspartic protease AA clan","Cytochrome P450 family 3A","Voltage-gated potassium channel","Mo
noamine receptor","Jumonji domain-containing","ABCB subfamily","ABCC subfamily","NMDA receptor","Aspartic protease A1A subfamily","Cytochrome P450 3A4","Histamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Ion channels",Receptors,Transporters,"Acetylcholine turnover","Peptidases and proteinases","Sigma receptors","Catecholamine turnover","Cytochrome P450","Voltage-gated
 ion channels","G protein-coupled receptors","Chromatin modifying enzymes","ATP-binding cassette transporter family","L-Arginine turnover","AA: Aspartic (A) Peptidases","CYP3 family","Potassium channe
ls","Histamine receptors","1.14.11.- Histone demethylases","ABCB subfamily","ABCC subfamily","5-Hydroxytryptamine receptors","Nitric oxide synthases","A1: Pepsin","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins",Disease,"Muscle contraction","Signal Transduction",Hemostasis,"Immune System","Metabolism of lipids","Amyloid fiber formation","Infectious disease","Biological oxi
dations","Cardiac conduction","Signaling by GPCR","Platelet activation","signaling and aggregation","Abacavir transport and metabolism","Platelet homeostasis","Innate Immune System","Phospholipid meta
bolism","SARS-CoV Infections","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 3 - rapid repolarisation","GPCR ligand binding","Metabolism 
of steroids","Response to elevated platelet cytosolic Ca2+","Abacavir transmembrane transport","Nitric oxide stimulates guanylate cyclase","Neutrophil degranulation","Leishmania infection","Glyceropho
spholipid biosynthesis","Potential therapeutics for SARS","Amine Oxidase reactions","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Plat
elet degranulation","Cell recruitment (pro-inflammatory response)","Synthesis of PC","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of maresins","Amine ligand
-binding receptors","Synthesis of bile acids and bile salts","Purinergic signaling in leishmaniasis infection","Biosynthesis of maresin-like SPMs","Histamine receptors","Synthesis of bile acids and bi
le salts via 7alpha-hydroxycholesterol","Serotonin receptors"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{"Donepezil hydrochloride",120011-70-3,120011703,"Donepezil HCl",Aricept,BNAG,110119-84-1,110119841,E-2020,E2020,"Aricept ODT","E 2020",donepezilhcl,"Donepezil (Hydrochloride)","Donepezil, HCl",C24H30
ClNO3,CHEMBL1678,"120011-70-3 (HCl)","120011703 (HCl)",E2020;E-2020,E2020;E2020,DSSTox_CID_26,DSSToxCID26,DSSTox-CID-26,"DSSTox CID 26",T6478,T7041,SAM001246627,1504403,Donepezil,CPD000449292,"DONEPEZ
IL HYDROCHLORIDE"}

> <pdid>
PD005540

> <targets>
{}

> <classes>
{"acetylcholinesterase inhibitor (reversible)","cognitive enhancer"}

> <pubchem_cids>
{10916711,5741,44263804}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 C   0  0
    5.1978   -4.5012    0.0000 O   0  0
    3.8985   -2.2508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1880    3.7544    0.0000 C   0  0
   -2.6518    5.1810    0.0000 C   0  0
   -1.6483    6.2959    0.0000 C   0  0
   -0.1810    5.9844    0.0000 C   0  0
    0.2828    4.5579    0.0000 C   0  0
   -0.7207    3.4429    0.0000 C   0  0
   -4.6589    2.9478    0.0000 N   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6864    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 C   0  0
   -5.5066    9.7698    0.0000 N   0  0
   -5.9670   11.1974    0.0000 C   0  0
   -4.0400    9.4552    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4985   -2.2516    0.0000 N   0  0
    7.7983   -3.0020    0.0000 C   0  0
    9.0978   -2.2529    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
  9 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31  8  1  0
 31 32  2  0
 32  5  1  0
  1 33  1  0
 33 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13259

> <plate>
PLATE 004

> <well>
C9

> <supplier_cmpd_name>
BI-847325

> <ctcr_id>
11631

> <supplier_cmpd_id>
T6785

> <smiles>
C(=O)(C#Cc1ccc2/C(=C(\c3ccccc3)/Nc3ccc(cc3)CN(C)C)/C(=O)Nc2c1)NCC

> <pd_targets>
{AURKB-B,MAP2K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","STE protein kinase group","Other protein kinase AUR family","STE protein kinase STE7 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE7 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{AURKA,AURKB,AURKC,MAP2K1,MAP2K2}

> <broad_moa>
{"Aurora kinase inhibitor","MEK inhibitor"}

> <synonyms>
{I84732,1207293-36-4,1207293364,BI-847325,BI847325,hylpropiolamide,"BI 847325",5U5,SCHEMBL4081822,CHEMBL3699142,CHEMBL4303500,SCHEMBL10326049,BDBM142744,BCP15994,EX-A1727,EXA1727,NSC799360,s7843,AKOS0
30238788,ZINC143989489,ZINC143989696,ACN-037512,ACN037512,CCG-269395,CCG269395,CS-6291,CS6291,NSC-799360,SB2,T6785}

> <pdid>
PD017275

> <targets>
{MEK,"Aurora Kinase","Aurora A (Human)","Aurora B (Xenopus laevis)","Aurora C (Human)",MEK1,MEK2,Apoptosis}

> <classes>
{Cell Cycle/Checkpoint,MAPK,Chromatin/Epigenetic,Apoptosis,Cell Cycle/DNA Damage,Epigenetics,MAPK/ERK Pathway}

> <pubchem_cids>
{135567102}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 32  0  0  1  0            999 V2000
    1.6199   -3.9799    0.0000 C   0  0
    2.7390   -2.9810    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9492   -0.8772    0.0000 N   0  0
    4.9546   -1.9903    0.0000 C   0  0
    4.2067   -3.2906    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 F   0  0
    2.5987    1.5004    0.0000 C   0  0
    2.6012    3.0005    0.0000 C   0  0
    3.9014    3.7484    0.0000 C   0  0
    5.1993    2.9963    0.0000 C   0  0
    5.1969    1.4963    0.0000 C   0  0
    3.8967    0.7484    0.0000 C   0  0
    6.4995    3.7443    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  7  3  1  1
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 10  1  0
 15 16  2  0
 16  7  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 12 21  1  0
  8 22  1  6
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13260

> <plate>
PLATE 004

> <well>
C10

> <supplier_cmpd_name>
Talazoparib

> <ctcr_id>
11632

> <supplier_cmpd_id>
T6253

> <smiles>
Cn1c(ncn1)[C@@H]1[C@H](N=c2cc(cc3c2c1[nH][nH]c3=O)F)c1ccc(cc1)F

> <pd_targets>
{PARP1,PARP2}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"DNA Repair","Infectious disease","Base Excision Repair","Influenza Infection","Resolution of Abasic Sites (AP sites)","Influenza Viral RNA Transcription and Replication","Resolution of AP si
tes via the multiple-nucleotide patch replacement pathway","vRNA Synthesis","POLB-Dependent Long Patch Base Excision Repair"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Talazoparib,1207456-01-6,1207456016,BMN-673,BMN673,"BMN 673",Talzenna,"Talazoparib (BMN 673)",UNII-9QHX048FRV,UNII9QHX048FRV,LT-673,LT673,9QHX048FRV,CHEMBL3137320,"1207456-01-6 (free base)","12074560
16 (free base)","BMN-673 8R,9S","BMN673 8R,9S",1207456-00-5,1207456005,"Talazoparib (USAN:INN)",4pjt,2YQ,Talazoparib(BMN-673),Talazoparib(BMN673),T6253}

> <pdid>
PD036148

> <targets>
{PARP}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{135565082}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
    0.0125   -5.9981    0.0000 N   0  0
    0.0156   -7.4989    0.0000 C   0  0
   -1.2835   -8.2490    0.0000 C   0  0
   -1.2835   -9.7490    0.0000 C   0  0
    0.0156  -10.4990    0.0000 C   0  0
    1.3146   -9.7490    0.0000 C   0  0
    1.3146   -8.2490    0.0000 C   0  0
    2.6159   -7.5013    0.0000 O   0  0
    3.9139   -8.2532    0.0000 C   0  0
    0.0156  -11.9998    0.0000 N   0  0
   -1.2823  -12.7520    0.0000 C   0  0
   -1.2799  -14.2520    0.0000 C   0  0
    0.0203  -14.9999    0.0000 N   0  0
    0.0227  -16.4999    0.0000 C   0  0
    1.3182  -14.2478    0.0000 C   0  0
    1.3158  -12.7478    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1932   -3.0130    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 19 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 24  1  0
 14 31  2  0
 31 32  1  0
 32 33  2  0
 33 12  1  0
 33 34  1  0
 10 35  2  0
 35  6  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13261

> <plate>
PLATE 004

> <well>
C11

> <supplier_cmpd_name>
WZ4003

> <ctcr_id>
1736

> <supplier_cmpd_id>
T6291

> <smiles>
CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N4CCN(C)CC4)ncc2Cl)c1

> <pd_targets>
{NUAK1,NUAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase NuaK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","NuaK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Phosphorylation"}

> <broad_targets>
{NUAK1,NUAK2}

> <broad_moa>
{"AMPK inhibitor"}

> <synonyms>
{WZ4003,1214265-58-3,1214265583,"1214265 58 3",WZ-4003,"WZ 4003",GTPL8047,CHEMBL4303523,HMS3653E12,HMS3674E13,BCP09218,EX-A2485,EXA2485,"EX A2485",2806AH,ABP001164,s7317,ZINC68711428,AKOS025142058,CCG
-264737,CCG264737,"CCG 264737",CS-3258,CS3258,"CS 3258",NCGC00386309-05,NCGC0038630905,"NCGC00386309 05",NCGC00386309-07,NCGC0038630907,"NCGC00386309 07",AC-30128,AC30128,"AC 30128",AK547101,AS-55863,
AS55863,"AS 55863",HY-15802,HY15802,"HY 15802",QC-11658,QC11658,"QC 11658",T6291,S7317}

> <pdid>
PD003267

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{72200024}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 F   0  0
   -3.0655    4.4450    0.0000 F   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  0
 16 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13262

> <plate>
PLATE 004

> <well>
D2

> <supplier_cmpd_name>
Gemcitabine HCl

> <ctcr_id>
2701

> <supplier_cmpd_id>
T6069

> <smiles>
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F

> <pd_targets>
{REP,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2,RRM1,RRM2,RRM2B,TYMS,CMPK1}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","1.17.4.1 Ribonucleoside-diphosphate reductases","2.1.1.- Methyltransferases","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Cell Cycle",Metabolism,"Infectious disease",Mitotic,"Metabolism of nucleotides","SARS-CoV Infections","Mitotic G1 phase and G1/S transition","Interconversion of nucleotide di- and triphospha
tes","SARS-CoV-1 Infection","G1/S Transition","SARS-CoV-1 Genome Replication and Transcription","G1/S-Specific Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{CMPK1,RRM1,RRM2,TYMS}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{gemcitabine,95058-81-4,95058814,"2'-Deoxy-2',2'-difluorocytidine","2'Deoxy2',2'difluorocytidine","2',2'-Difluorodeoxycytidine","2',2'Difluorodeoxycytidine","Gemcitabine HCl",dFdC,"GEMCITABINE HYDROCH
LORIDE","Cytidine, 2'-deoxy-2',2'-difluoro-","Cytidine, 2'deoxy2',2'difluoro","Gemcitabine free base",UNII-B76N6SBZ8R,UNIIB76N6SBZ8R,103882-84-4,103882844,LY188011,2',2'-,T0251,T6069,S1714,Prestw-1266
,Gemcitabine,Gemcitabine}

> <pdid>
PD003524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60750}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
   10.3683  -10.5272    0.0000 C   0  0
    9.0720   -9.7724    0.0000 N   0  0
    9.0765   -8.2716    0.0000 C   0  0
    7.7795   -7.5165    0.0000 C   0  0
    7.7840   -6.0157    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    6.4915   -3.7597    0.0000 C   0  0
    7.7931   -3.0140    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    7.7705  -10.5181    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 18 23  2  0
 23 13  1  0
 12 24  1  0
 24 25  2  0
 25  9  1  0
  2 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13263

> <plate>
PLATE 004

> <well>
D3

> <supplier_cmpd_name>
ML324

> <ctcr_id>
13481

> <supplier_cmpd_id>
T6593

> <smiles>
CN(CCCNC(=O)c1ccc(c2cc(O)c3c(cccn3)c2)cc1)C

> <pd_targets>
{KDM4E,L3MBTL1,UBE2N,BCL2A1,KDM4A}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein",Eraser,Reader,Aminoacyltransferase,"Lysine demethylase","Methyl-lysine/arginine binding protein","Jumonji domain-containing","MBT domain"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","DNA Repair","RNA Polymerase II Transcription","Innate Immune System","DNA Double-Strand Break Repair","Generic Transcription Pathway","Toll-like Rec
eptor Cascades","DNA Double Strand Break Response","Transcriptional Regulation by TP53","Toll Like Receptor 4 (TLR4) Cascade","Recruitment and ATM-mediated phosphorylation of repair and signaling prot
eins at DNA double strand breaks","Regulation of TP53 Activity","MyD88-independent TLR4 cascade","Regulation of TP53 Activity through Methylation","TRIF(TICAM1)-mediated TLR4 signaling","IKK complex r
ecruitment mediated by RIP1"}

> <broad_targets>
{KDM4A}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{ML324,1222800-79-4,1222800794,ML-324,N-(3-(Dimethylamino)propyl)-4-(8-hydroxyquinolin-6-yl)benzamide,N(3(Dimethylamino)propyl)4(8hydroxyquinolin6yl)benzamide,N-(3-(dimethylamino)propyl)-4-(8-hydroxyq
uinolin-6-yl)benzamide,N(3(dimethylamino)propyl)4(8hydroxyquinolin6yl)benzamide,Ml234,MLS002391556,"Benzamide, N-(3-(dimethylamino)propyl)-4-(8-hydroxy-6-quinolinyl)-","Benzamide, N(3(dimethylamino)pr
opyl)4(8hydroxy6quinolinyl)",N-(3-(d,N(3(d,T6593}

> <pdid>
PD010259

> <targets>
{JMJD2,CMV,Histone Demethylase,HSV}

> <classes>
{Chromatin/Epigenetic,Anti-infection,Epigenetics}

> <pubchem_cids>
{44143209}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 36  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5625    0.0216    0.0000 C   0  0
    3.8615   -0.7286    0.0000 O   0  0
    2.5631    1.5224    0.0000 C   0  0
    3.8627    2.2731    0.0000 C   0  0
    3.8634    3.7739    0.0000 C   0  0
    5.1612    4.5261    0.0000 C   0  0
    5.1588    6.0261    0.0000 C   0  0
    3.8585    6.7740    0.0000 C   0  0
    3.8530    8.2748    0.0000 O   0  0
    2.5517    9.0209    0.0000 C   0  0
    2.5607    6.0219    0.0000 C   0  0
    2.5631    4.5219    0.0000 C   0  0
    6.4589    6.7759    0.0000 O   0  0
    7.7580    6.0262    0.0000 C   0  0
    1.2628   -2.2303    0.0000 C   0  0
   -0.0366   -2.9798    0.0000 O   0  0
    2.5620   -2.9817    0.0000 C   0  0
    2.5618   -4.4825    0.0000 C   0  0
    3.8610   -5.2339    0.0000 C   0  0
    3.8630   -6.7340    0.0000 C   0  0
    5.1630   -7.4823    0.0000 C   0  0
    6.4611   -6.7306    0.0000 C   0  0
    6.4592   -5.2306    0.0000 C   0  0
    5.1591   -4.4823    0.0000 C   0  0
    7.7634   -7.4767    0.0000 O   0  0
    9.0604   -6.7231    0.0000 C   0  0
    5.1619   -8.9831    0.0000 O   0  0
    3.8627   -9.7329    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  1  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 11  1  0
 13 19  1  0
 19 20  1  0
  1 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 28 31  1  0
 31 32  1  0
 27 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13264

> <plate>
PLATE 004

> <well>
D4

> <supplier_cmpd_name>
FLLL32

> <ctcr_id>
11542

> <supplier_cmpd_id>
T6838

> <smiles>
C1(CCCCC1)(C(=O)/C=C/c1cc(c(OC)cc1)OC)C(=O)/C=C/c1cc(c(cc1)OC)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FLLL32,1226895-15-3,1226895153,CHEMBL2172012,"FLLL-32; FLLL 32","FLLL32; FLLL 32",SCHEMBL10054093,"(2E,2'E)-1,1'-cyclohexylidenebis(3-(3,4-dimethoxyphenyl)-2-propen-1-one)","(2E,2'E)1,1'cyclohexylide
nebis(3(3,4dimethoxyphenyl)2propen1one)",BCP28141,EX-A1096,EXA1096,MFCD27976793,s7259,ZINC95557239,CCG-269394,CCG269394,NCGC00481557-01,NCGC0048155701,AC-33050,AC33050,BS-14678,BS14678,QC-11753,QC1175
3,T6838}

> <pdid>
PD021528

> <targets>
{JAK,JAK2,Apoptosis,STAT}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,JAK/STAT signaling,Stem Cells,Apoptosis,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{68019246}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    8.5691   -9.6077    0.0000 O   0  0
    9.3169   -8.3073    0.0000 C   0  0
   10.8177   -8.3052    0.0000 N   0  0
   11.5704   -9.6026    0.0000 O   0  0
    8.5637   -7.0091    0.0000 C   0  0
    7.0629   -7.0113    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6071    5.9984    0.0000 Cl  0  0
    1.2938    3.7562    0.0000 C   0  0
    1.2890    5.2570    0.0000 C   0  0
    2.5852    6.0119    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6923   -4.0811    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 16 20  1  0
 20 21  1  0
 21 22  1  0
 15 23  2  0
 23 24  1  0
 24 25  2  0
 25 13  1  0
 25 26  1  0
 26 11  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13265

> <plate>
PLATE 004

> <well>
D5

> <supplier_cmpd_name>
Minomustine

> <ctcr_id>
11634

> <supplier_cmpd_id>
T3516

> <smiles>
O=C(NO)CCCCCCc1nc2cc(N(CCCl)CCCl)ccc2n1C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{EDO-S101,EDOS101,Tinostamustine,1236199-60-2,1236199602,"Tinostamustine free base",UNII-29DKI2H2NY,UNII29DKI2H2NY,Tinostamustine(EDO-S101),Tinostamustine(EDOS101),29DKI2H2NY,"EDO-S 101","EDOS 101",ED
O-S-101,"1236199-60-2 (free base)","1236199602 (free base)",Minomustine,"Tinostamustine (USAN)","Tinostamustine (USAN/INN)",SCHEMBL7915449,T3516}

> <pdid>
PD064856

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC6,HDAC8}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{46836227}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
   -6.4580   -6.9843    0.0000 C   0  0
   -4.9580   -6.9919    0.0000 N   0  0
   -4.2146   -8.2947    0.0000 C   0  0
   -2.7146   -8.3023    0.0000 C   0  0
   -1.9579   -7.0071    0.0000 N   0  0
   -2.7015   -5.7043    0.0000 C   0  0
   -4.2014   -5.6967    0.0000 C   0  0
   -0.4572   -7.0123    0.0000 C   0  0
    0.2883   -8.3139    0.0000 C   0  0
    1.7883   -8.3192    0.0000 C   0  0
    2.5428   -7.0227    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.3114   -2.9665    0.0000 N   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    6.4931    3.7571    0.0000 S   0  0
    7.7938    3.0100    0.0000 O   0  0
    6.4902    5.2571    0.0000 O   0  0
    7.7905    4.5098    0.0000 C   0  0
    0.2973   -5.7159    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 22 14  2  0
 17 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 29 31  2  0
 29 32  1  0
 12 33  2  0
 33  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13266

> <plate>
PLATE 004

> <well>
D6

> <supplier_cmpd_name>
CEP-33779

> <ctcr_id>
3263

> <supplier_cmpd_id>
T6122

> <smiles>
CN1CCN(CC1)c2cccc(Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)c2

> <pd_targets>
{JAK2,JAK3,PTK2,CYP3A4,JAK1,ABCB1}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Cytochrome P450","Primary active transporter","Protein Kinase","Cytochrome P450 family 3","ATP-binding cassette","TK protein kinase group","Cytochrome P450 family 3A","ABCB
 subfamily","Tyrosine protein kinase JakA family","Tyrosine protein kinase Fak family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Cytochrome P450","ATP-binding cassette transporter family","Receptor kinases","CYP3 family","ABCB subfamily","TK: Tyrosine kinase","Non-receptor 
tyrosine kinases (nRTKs)","Janus kinase (JakA) family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Immune System",Disease,Metabolism,Mitotic,"Cytokine Signaling in Immune system","Infectious disease","Metabolism of lipids","Abacavir transport and metabolism","Mitotic G1 phase and G1/
S transition","Signaling by Interleukins","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Interferon Signaling","Abacavir transmembrane transport","G1 Phase","Inter
leukin-2 family signaling","Parasite infection","Biosynthesis of DHA-derived SPMs","Antiviral mechanism by IFN-stimulated genes","Cyclin D associated events in G1","Interleukin-15 signaling","Leishman
ia phagocytosis","Biosynthesis of maresins","ISG15 antiviral mechanism","FCGR3A-mediated phagocytosis","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{CEP-33779,CEP33779,1257704-57-6,1257704576,CHEMBL2062804,C24H26N6O2S,1346168-57-7,1346168577,MLS006011248,GTPL9387,SCHEMBL2634485,BDBM99537,DTXSID30720926,SYN1156,HMS3651D13,BCP27756,EX-A1032,EXA1032
,2311AH,MFCD22683932,s2806,ZINC84727467,AKOS025404934,CCG-265001,CCG265001,CS-3439,CS3439,SB19,T6122,T2426,S2806}

> <pdid>
PD010563

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{57336812}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5933   -4.5058    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 O   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 N   0  0
   -4.8082   -4.6653    0.0000 C   0  0
   -6.2996   -4.8255    0.0000 F   0  0
   -3.9242   -5.8772    0.0000 F   0  0
   -5.4155   -6.0369    0.0000 F   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.3241   -7.4920    0.0000 C   0  0
    6.7907   -7.8069    0.0000 O   0  0
    7.5434   -6.5094    0.0000 C   0  0
    6.5420   -5.3926    0.0000 N   0  0
    9.0362   -6.3556    0.0000 C   0  0
   10.0005   -7.4981    0.0000 C   0  0
   11.4768   -7.2325    0.0000 C   0  0
   11.9850   -5.8212    0.0000 C   0  0
   11.0168   -4.6755    0.0000 C   0  0
    9.5405   -4.9411    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
  2 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 23  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13267

> <plate>
PLATE 004

> <well>
D7

> <supplier_cmpd_name>
TMP 195

> <ctcr_id>
11635

> <supplier_cmpd_id>
T3983

> <smiles>
CC(C)(CNC(=O)c1cccc(c1)c1noc(n1)C(F)(F)F)c1coc(n1)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{TMP195,1314891-22-9,1314891229,"TFMO 2",TMP-195,"TMP 195",SCHEMBL2226518,"TMP 195;TMP-195","TMP 195;TMP195",BCP24720,EX-A2571,EXA2571,s8502,ZINC95828733,AKOS030632667,CCG-269295,CCG269295,NCGC0038671
2-01,NCGC0038671201,AK685264,BS-15059,BS15059,HY-18361,HY18361,A14326,T3983}

> <pdid>
PD016549

> <targets>
{HDAC4,HDAC5,HDAC7,HDAC9}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{67324851}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 45  0  0  0  0            999 V2000
    9.3884    1.2361    0.0000 C   0  0
   10.2445    2.4678    0.0000 C   0  0
    9.6058    3.8250    0.0000 N   0  0
    8.1110    3.9505    0.0000 C   0  0
    7.2550    2.7188    0.0000 C   0  0
    7.8897    1.3726    0.0000 C   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.8079   -1.3985    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   10.4598    5.0592    0.0000 C   0  0
   11.9547    4.9363    0.0000 O   0  0
    9.8188    6.4163    0.0000 C   0  0
   10.6706    7.6510    0.0000 C   0  0
   10.0272    9.0060    0.0000 C   0  0
    8.5320    9.1264    0.0000 N   0  0
    7.6802    7.8917    0.0000 C   0  0
    8.3236    6.5367    0.0000 C   0  0
   10.8794   10.2414    0.0000 C   0  0
   12.3747   10.1220    0.0000 F   0  0
   10.2356   11.5962    0.0000 F   0  0
   11.7306   11.4765    0.0000 F   0  0
   12.1657    7.5307    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  7  1  0
  9 11  1  0
 11 12  1  0
 12 13  3  0
  9 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 19  1  0
  3 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 32 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
 31 40  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13268

> <plate>
PLATE 004

> <well>
D8

> <supplier_cmpd_name>
Itacitinib

> <ctcr_id>
11543

> <supplier_cmpd_id>
T3998

> <smiles>
C1CN(CCC1N1CC(C1)(CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1)C(=O)c1c(c(ncc1)C(F)(F)F)F

> <pd_targets>
{AXL,JAK2,TYRO3,JAK1,MERTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) recep
tor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System",Hemostasis,"Signaling by Receptor Tyrosine Kinases",Mitotic,"Cytokine Signaling in Immune system","Cell surface interactions at the vascular wall","
Signaling by VEGF","Mitotic G1 phase and G1/S transition","Interferon Signaling","VEGFA-VEGFR2 Pathway","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Cyclin D associated events in G1","ISG
15 antiviral mechanism"}

> <broad_targets>
{JAK1}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Itacitinib,1334298-90-6,1334298906,INCB039110,INCB-039110,UNII-19J3781LPM,UNII19J3781LPM,19J3781LPM,"Itacitinib (INCB39110)","Examlpe 294 (WO2011112662)","Itacitinib (USAN/INN)","Itacitinib (USAN:INN
)",Itacitinib(INCB039110),"Itacitinib; INCB039110",GTPL8364,SCHEMBL2396,T3998}

> <pdid>
PD049362

> <targets>
{JAK1}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{53380437}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.1996    1.4928    0.0000 O   0  0
    3.8939   -3.7568    0.0000 C   0  0
    3.8941   -5.2568    0.0000 C   0  0
    5.1932   -6.0067    0.0000 C   0  0
    6.4922   -5.2566    0.0000 C   0  0
    6.4921   -3.7566    0.0000 C   0  0
    5.1930   -3.0067    0.0000 C   0  0
    1.9585   -4.2353    0.0000 C   0  0
    1.2106   -2.9351    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  1 19  1  0
 19 20  1  0
 20  1  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13269

> <plate>
PLATE 004

> <well>
D9

> <supplier_cmpd_name>
ACY-738

> <ctcr_id>
11637

> <supplier_cmpd_id>
T3509

> <smiles>
C1(Nc2ncc(cn2)C(=O)NO)(c2ccccc2)CC1

> <pd_targets>
{HDAC3,HDAC6,HDAC1,HDAC2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Disorders of Nervous System Development","Generic Transcription Pathway","Pervasive d
evelopmental disorders","Transcriptional regulation by RUNX2","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Regulation of TP53 A
ctivity","Loss of MECP2 binding ability to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylati
on"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CY73,ACY-738,ACY738,1375465-91-0,1375465910,N-hydroxy-2-((1-phenylcyclopropyl)amino)-5-pyrimidinecarboxamide,Nhydroxy2((1phenylcyclopropyl)amino)5pyrimidinecarboxamide,N-hydroxy-2-((1-phenylcycloprop
yl)amino)pyrimidine-5-carboxamide,Nhydroxy2((1phenylcyclopropyl)amino)pyrimidine5carboxamide,"5-Pyrimidinecarboxamide, N-hydroxy-2-((1-phenylcyclopropyl)amino)-","5Pyrimidinecarboxamide, Nhydroxy2((1p
henylcyclopropyl)amino)",N-Hydroxy-2-((1-phen,NHydroxy2((1phen,T3509}

> <pdid>
PD056982

> <targets>
{HDAC6}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{57381425}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    7.2951   -5.3602    0.0000 Na  0  3
    2.5490  -12.2198    0.0000 C   0  0
    1.7972  -10.9218    0.0000 O   0  0
    2.5450   -9.6205    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 F   0  0
   -3.8964   -0.7545    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.7951   -8.3214    0.0000 C   0  0
    0.2943   -8.3245    0.0000 O   0  0
   -0.4539   -9.6246    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  2  0
 23 14  1  0
 23 24  1  0
 24 12  2  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
M  CHG  2   1   1  13  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13270

> <plate>
PLATE 004

> <well>
D10

> <supplier_cmpd_name>
Pantoprazole sodium

> <ctcr_id>
5093

> <supplier_cmpd_id>
T6929

> <smiles>
[Na+].COc1ccnc(C[S](=O)c2[n-]c3ccc(OC(F)F)cc3n2)c1OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pantoprazole (sodium)",Pantoloc,Protonix,Pantecta,Zurcal,138786-67-1,138786671,"Protonix I.V.","BY1023 (sodium); SKF96022 (sodium)",Controloc,"Protonix DR","Protonix IV","PANTOPRAZOLE SODIUM SALT","
Pantoprazole sodium sesquihydrate","Protonix delayed-","Protonix delayed",T6929,T0161,SAM001246591,"Pantoprazole sodium","Pantoprazole Sodium Hydrate",CPD000469592}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23713799,15008962}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 19 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0  2  0  0  0
   -4.5654   -0.5102    0.0000 C   0  0
   -5.3200    0.7861    0.0000 C   0  0  1  0  0  0
   -6.6102    1.5527    0.0000 C   0  0
   -7.1373    2.9349    0.0000 C   0  0
   -8.6180    3.1745    0.0000 C   0  0
   -9.5659    2.0119    0.0000 C   0  0
   -9.0330    0.6098    0.0000 C   0  0
   -7.5522    0.3702    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.5987    0.8371    0.0000 Cl  0  0
    5.0987    0.8371    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9  7  1  0
  9 10  1  1
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  5 16  1  0
 16 17  1  0
 17  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13271

> <plate>
PLATE 004

> <well>
D11

> <supplier_cmpd_name>
ORY-1001

> <ctcr_id>
13484

> <supplier_cmpd_id>
T6922

> <smiles>
NC1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.Cl.Cl

> <pd_targets>
{MAOA,KDM1A,KDM1B,RCOR1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Eraser,"Lysine demethylase","Lysine-specific demethylase"}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Metabolism of proteins","Biological oxidations","Intracellular signaling by second messengers","Post-translational protein modification","Phase I - Functionalization
 of compounds","PIP3 activates AKT signaling",Deubiquitination,"Amine Oxidase reactions","PTEN Regulation","UCH proteinases","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB",
"Regulation of PTEN gene transcription"}

> <broad_targets>
{KDM1A}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{RY100,ORY-1001,ORY1001,1431326-61-2,1431326612,ORY-1001(trans),ORY1001(trans),LSD1-IN-1,LSD1IN1,1431303-72-8,1431303728,"ORY1001 HCl","ORY-1001(mixture of trans and cis isomers)","ORY1001(mixture of 
trans and cis isomers)","1431303-72-8 (2HCl)","1431303728 (2HCl)","ORY-1001 (RG-6016) 2HCl","ORY1001 (RG6016) 2HCl","Iadademstat dihydrochloride",UNII-G02YXY861Q,UNIIG02YXY861Q,G02YXY861Q,CHEMBL459306
2,SCHEMBL,T6922}

> <pdid>
PD006895

> <targets>
{LSD1/KDM1A}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{71664305}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6997    0.7409    0.0000 C   0  0
  -11.7023   -0.7591    0.0000 O   0  0
  -12.9984    1.4931    0.0000 N   0  0
  -14.2990    0.7457    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 14 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13272

> <plate>
PLATE 004

> <well>
E2

> <supplier_cmpd_name>
BRD73954

> <ctcr_id>
11638

> <supplier_cmpd_id>
T6421

> <smiles>
c1ccc(cc1)CCNC(=O)c1cc(ccc1)C(=O)NO

> <pd_targets>
{HDAC3,HDAC7,HDAC8,HDAC6,HDAC1,HDAC10,HDAC11,HDAC2,HDAC4,HDAC5,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Cell Cycle","Gene expression (Transcription)","Disorders of Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"RNA Polymerase 
II Transcription","Disorders of Nervous System Development","Signaling by NOTCH1 in Cancer","M Phase","Generic Transcription Pathway","Pervasive developmental disorders","Signaling by NOTCH1 HD+PEST D
omain Mutants in Cancer","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX2","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Constitutive Signalin
g by NOTCH1 HD+PEST Domain Mutants","Mitotic Anaphase","RUNX2 regulates bone development","Regulation of TP53 Activity","Loss of MECP2 binding ability to the NCoR/SMRT complex","Separation of Sister C
hromatids","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BRD73954,1440209-96-0,1440209960,BRD-73954,"N1-hydroxy-N3-(2-phenylethyl)-1,3-benzenedicarboxamide","N1hydroxyN3(2phenylethyl)1,3benzenedicarboxamide",CHEMBL2381517,"BRD 73954",N1-hydroxy-N3-phenethy
lisophthalamide,N1hydroxyN3phenethylisophthalamide,SCHEMBL17549783,"3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide","3Nhydroxy1N(2phenylethyl)benzene1,3dicarboxamide",AOB4639,EX-A665,EXA665,
BC,T6421}

> <pdid>
PD012420

> <targets>
{HDAC2,HDAC4,HDAC6,HDAC8}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{71680913}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    5.1954   -7.5048    0.0000 C   0  0
    6.4943   -8.2550    0.0000 C   0  0
    5.1947   -6.0039    0.0000 S   0  0
    6.4936   -5.2537    0.0000 O   0  0
    6.4939   -6.7535    0.0000 O   0  0
    3.8950   -5.2533    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.9046    0.7483    0.0000 O   0  0
    5.2066    1.4948    0.0000 C   0  0
    5.2143    2.9948    0.0000 C   0  0
    6.5172    3.7382    0.0000 C   0  0
    7.8124    2.9816    0.0000 C   0  0
    7.8047    1.4816    0.0000 C   0  0
    6.5019    0.7382    0.0000 C   0  0
    9.1152    3.7250    0.0000 F   0  0
    3.9191    3.7514    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.3114    2.9665    0.0000 N   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
  1  2  1  0
  1  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 15 21  1  0
  9 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 22  2  0
 27 29  1  0
 24 30  1  0
 30 31  1  0
 31 32  2  0
 32 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13273

> <plate>
PLATE 004

> <well>
E3

> <supplier_cmpd_name>
Mivebresib

> <ctcr_id>
12476

> <supplier_cmpd_id>
T3712

> <smiles>
C(C)S(=O)(=O)Nc1cc(c(cc1)Oc1c(cc(cc1)F)F)c1c2c(c(=O)n(c1)C)[nH]cc2

> <pd_targets>
{BRD4,BRDT,BRD2,TSPO,BRD3,ADORA2B,EP300}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Reader,"Family A G protein-coupled receptor",Writer,Bromodomain,"Small molecule receptor (family A GPCR)","Histone acetyltransferase","Nucleotide-like recep
tor (family A GPCR)","p300/CBP family","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Chromatin modifying enzymes","Bromodomain-containing proteins","Mitochondrial-associated proteins","G protein-coupled receptors","Enzymatic bromodomain-cont
aining proteins","Non-enzymatic BRD containing proteins","Adenosine receptors","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)",Metabolism,"Infectious disease","RNA Polymerase II Transcription","Metabolism of lipids","SARS-CoV Infections","Generic Transcription Pathway","Metabolism of
 steroids","Leishmania infection","Potential therapeutics for SARS","Transcriptional regulation by RUNX3","Metabolism of steroid hormones","Leishmania parasite growth and survival","Transcriptional Re
gulation by TP53","RUNX3 regulates p14-ARF","Pregnenolone biosynthesis","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","ADORA2B mediated anti-inflam
matory cytokines production","Regulation of TP53 Activity through Acetylation","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
{}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{Mivebresib,1445993-26-9,1445993269,ABBV-075,ABBV075,UNII-VR86R11J7J,UNIIVR86R11J7J,VR86R11J7J,8NG,"Mivebresib (INN)","Mivebresib (USAN)",Mivebresib(ABBV-075,Mivebresib(ABBV075,"Mivebresib (USAN/INN)"
,"Mivebresib (USAN:INN)","ABBV-075 (Mivebresib)","ABBV075 (Mivebresib)","Mivebresib (ABBV-075)","Mivebresib (ABBV075)",GTPL9117,CHEMBL39,T3712}

> <pdid>
PD053666

> <targets>
{BET,Apoptosis,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Apoptosis,Epigenetics}

> <pubchem_cids>
{71600087}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 N   0  0
    3.8804   -9.7573    0.0000 C   0  0
    2.5766  -10.5006    0.0000 N   0  0
    1.2805   -9.7438    0.0000 C   0  0
   -0.1265  -10.1481    0.0000 C   0  0
   -0.5046   -8.6965    0.0000 C   0  0
    0.9469   -8.3184    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17  8  1  0
  2 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 24  1  0
 22 28  2  0
 28 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13274

> <plate>
PLATE 004

> <well>
E4

> <supplier_cmpd_name>
GSK591

> <ctcr_id>
12567

> <supplier_cmpd_id>
T6853

> <smiles>
O=C(NC[C@H](O)CN1Cc2ccccc2CC1)c1ccnc(NC2CCC2)c1

> <pd_targets>
{PRMT5}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{EPZ015866,1616391-87-7,1616391877,GSK591,GSK3203591,GTPL8954,CHEMBL4542380,SCHEMBL16220740,BDBM178085,EX-A1117,EXA1117,MFCD30187524,s8111,AKOS030526610,ZINC521836465,CCG-268410,CCG268410,CS-5643,CS56
43,EPZ-015866,SB19131,NCGC00483168-01,NCGC0048316801,AS-74824,AS74824,"GSK591, >=97 (HPLC)",HY-100235,HY100235,A14374,T6853}

> <pdid>
PD000038

> <targets>
{PRMT5}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{117072552}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -3.1875    2.6385    0.0000 C   0  0
   -3.6507    4.0652    0.0000 N   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
 11 12  1  0
 12  4  1  0
 12 13  2  0
  8 14  1  0
 14 15  3  0
  5 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13275

> <plate>
PLATE 004

> <well>
E5

> <supplier_cmpd_name>
CPI-455

> <ctcr_id>
13490

> <supplier_cmpd_id>
T3552

> <smiles>
CC(C)c1c([nH]c2c(cnn2c1=O)C#N)c1ccccc1

> <pd_targets>
{KDM5A,KDM5B,KDM3B,KDM5C,KDM2B,PHF8,KDM4C,KDM6B}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Chromatin organization","Gene expression (Transcription)","Cell Cycle","Signal Transduction","Cellular responses to external stimuli","Chromatin modifying enzymes","RNA Polymerase II Transcription",
Mitotic,"Signaling by Rho GTPases","Cellular responses to stress","HDMs demethylate histones","Generic Transcription Pathway","M Phase","RHO GTPase Effectors","Cellular Senescence","Transcriptional re
gulation by the AP-2 (TFAP2) family of transcription factors","Mitotic Prophase","RHO GTPases activate PKNs","Oxidative Stress Induced Senescence","TFAP2 (AP-2) family regulates transcription of cell 
cycle factors","Condensation of Prophase Chromosomes","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PI45,CPI-455,CPI455,1628208-23-0,1628208230,"CPI 455","CPI-455 HCl","CPI455 HCl",CHEMBL4454253,SCHEMBL16092249,BDBM195608,BCP20722,EX-A2621,EXA2621,MFCD29921343,NSC825282,AKOS027336169,ZINC224295147,
ZINC328578212,CS-6133,CS6133,NSC-825282,AK337647,AS-55937,AS55937,HY-100421,HY100421,Q27455371,C(C)(C)C1=C(NC,T3552}

> <pdid>
PD071456

> <targets>
{KDM5A}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{78426698}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 36  0  0  1  0            999 V2000
   11.6769   -9.7719    0.0000 C   0  0
   11.6793   -8.2719    0.0000 C   0  0  2  0  0  0
   10.3815   -7.5198    0.0000 C   0  0
   10.3837   -6.0198    0.0000 N   0  0
    9.0864   -5.2653    0.0000 C   0  0
    7.7850   -6.0111    0.0000 N   0  0
    6.4884   -5.2570    0.0000 C   0  0
    6.4930   -3.7570    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    7.7945   -3.0112    0.0000 C   0  0
    7.7993   -1.5112    0.0000 C   0  0
    9.0912   -3.7653    0.0000 C   0  0
   11.6841   -5.2719    0.0000 C   0  0
   12.9819   -6.0239    0.0000 C   0  0  2  0  0  0
   14.2821   -5.2760    0.0000 C   0  0
   12.9795   -7.5239    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 17  2  0
 22 23  1  0
 23 13  1  0
 12 24  1  0
 24 25  2  0
 25  9  1  0
  8 26  1  0
 26 27  1  0
 26 28  2  0
 28  5  1  0
  4 29  1  0
 29 30  1  0
 30 31  1  6
 30 32  1  0
 32  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13276

> <plate>
PLATE 004

> <well>
E6

> <supplier_cmpd_name>
AZ6102

> <ctcr_id>
11642

> <supplier_cmpd_id>
T6768

> <smiles>
C[C@@H]1CN(c2ncc(c3ccc(c4nc(=O)c5ccn(C)c5[nH]4)cc3)c(C)c2)C[C@H](C)N1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AZ6102,1645286-75-4,1645286754,AZ-6102,CHEMBL4101890,"AZ 6102",SCHEMBL20956858,BCP16242,EX-A2329,EXA2329,BDBM50232346,s7767,AKOS027470286,ZINC230478986,ACN-052939,ACN052939,CCG-268985,CCG268985,CS-56
10,CS5610,SB17458,"AZ 6102;AZ-6102","AZ 6102;AZ6102",AC-31438,AC31438,BS-16114,BS16114,HY-12975,HY12975,J3.659.362H,T6768}

> <pdid>

> <targets>
{TNKS1,TNKS2,PARP}

> <classes>
{Metabolism,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{135905416}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 39 45  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 C   0  0
    6.2823   -1.5084    0.0000 C   0  0
    7.6962   -2.0093    0.0000 O   0  0
    5.8565   -0.0701    0.0000 N   0  0
    4.3570   -0.0307    0.0000 C   0  0
    3.4982    1.1992    0.0000 O   0  0
    4.9973   -3.8578    0.0000 C   0  0
    6.2559   -4.6520    0.0000 C   0  0
    5.8646   -6.1001    0.0000 N   0  0
    6.8064   -7.2685    0.0000 C   0  0
    8.2966   -7.1489    0.0000 C   0  0
    9.1474   -8.3843    0.0000 C   0  0
    8.5029   -9.7388    0.0000 N   0  0
    7.0076   -9.8579    0.0000 C   0  0
    6.1569   -8.6225    0.0000 C   0  0
    9.3516  -10.9766    0.0000 C   0  0
    8.7048  -12.3309    0.0000 C   0  0
    9.5513  -13.5693    0.0000 C   0  0
    8.9021  -14.9216    0.0000 C   0  0
    7.4064  -15.0355    0.0000 C   0  0
    6.5599  -13.7972    0.0000 C   0  0
    7.2091  -12.4449    0.0000 N   0  0
    4.3672   -6.1750    0.0000 C   0  0
    3.4207   -7.3387    0.0000 C   0  0
    1.9397   -7.1008    0.0000 C   0  0
    1.4052   -5.6993    0.0000 C   0  0
    2.3517   -4.5356    0.0000 C   0  0
    3.8327   -4.7735    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 20 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 18  1  0
 39 34  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13277

> <plate>
PLATE 004

> <well>
E7

> <supplier_cmpd_name>
Enzastaurin

> <ctcr_id>
3854

> <supplier_cmpd_id>
T6280

> <smiles>
Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(C5CCN(CC5)Cc6ccccn6)c7ccccc47

> <pd_targets>
{PRKCA,DMPK,RPS6KA6,MET,RPS6KA4,MYLK4,MINK1,MAP4K1,CDK3,AXL,CDK7,PAK3,CLK1,CDK16,PRKG1,MELK,HIPK2,CLK4,PKN1,PRKCG,GRK7,PRKG2,AKT3,PRKCB,CAMK2D,PRKACA,CLK2,PIM1,RPS6KB1,CDKL2,STK17A,KIT,FLT3,PRKCH,TNK1
,RPS6KA5,PRKCE,PRKCZ,PRKCQ,STK26,MAP3K19,DYRK1B,PRKCD,PRKAA2,CDK14,PIP5K1C,FGFR1,PHKG1,JAK3,FLT4,TLK2,GSK3B,PRKACB,PIM3,CDK15,PDGFRB,RPS6KA1,RPS6KA3,CAMK2A,CAMK2B,CAMK2G,SLK,AAK1,STK33,MAPK15,STK3,DYR
K1A,HIPK4,NUAK2,CDK9,HIPK1,BMP2K,CAMKK2,STK16,CDK2,CILK1,GRK1,RPS6KA2,PIM2,TLK1}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","AGC protein kinase group","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","CMGC protein kinase group","Other protein kinas
e group","AGC protein kinase PKC family","AGC protein kinase DMPK family","AGC protein kinase RSK family","Tyrosine protein kinase Met family","CAMK protein kinase MLCK family","STE protein kinase STE
20 family","CMGC protein kinase CDK family","Tyrosine protein kinase Axl family","CMGC protein kinase CLK family","AGC protein kinase PKG family","CAMK protein kinase CAMK1 family","CMGC protein kinas
e DYRK family","AGC protein kinase PKN family","AGC protein kinase GRK family","AGC protein kinase AKT family","CAMK protein kinase CAMK2 family","AGC protein kinase PKA family","CAMK protein kinase P
IM family","CMGC protein kinase CDKL family","CAMK protein kinase DAPK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ack family","STE protein kinase STE11 family","Tyrosine p
rotein kinase FGFR family","CAMK protein kinase PHk family","Tyrosine protein kinase JakA family","Tyrosine protein kinase VEGFR family","Other protein kinase TLK family","CMGC protein kinase GSK fami
ly","Other protein kinase NAK family","CAMK protein kinase unique family","CMGC protein kinase MAPK family","Other protein kinase CAMKK family","CMGC protein kinase RCK family","AGC protein kinase PKC
 alpha subfamily","AGC protein kinase GEK subfamily","AGC protein kinase RSK subfamily","AGC protein kinase MSK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","CMGC p
rotein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase H
IPK subfamily","AGC protein kinase GRK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC eta subfamily","AGC protein kinase PKC iota subfamily","AGC protein kinase PKC delta subfam
ily","STE protein kinase YSK subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase PFTAIRE","STE protein kinase SLK subfamily","STE protein kinase 
MST subfamily","CAMK protein kinase NuaK subfamily","CMGC protein kinase CDK9 subfamily","Other protein kinase Meta subfamily","CMGC protein kinase MAK"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","Protein kinase C (PKC) family","DMPK family","RSK family","TK: Tyrosine kinase"
,"Myosin Light Chain Kinase (MLCK) family","STE20 family","Cyclin-dependent kinase (CDK) family","CLK family","Protein kinase G (PKG) family","CAMK-like (CAMKL) family","Dual-specificity tyrosine-(Y)-
phosphorylation regulated kinase (DYRK) family","Protein kinase N (PKN) family","G protein-coupled receptor kinases (GRKs)","Akt (Protein kinase B","PKB) family","CAMK2 family","Protein kinase A (PKA)
 family","PIM family","Cyclin-dependent kinase-like (CDKL) family","Death-associated kinase (DAPK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Phosphorylase kina
se (PHK) family","Other protein kinases","Glycogen synthase kinase (GSK) family","CAMK-unique family","Mitogen-activated protein kinases (MAP kinases)","RCK family","Delta subfamily","GEK subfamily","
RSK subfamily","Receptor tyrosine kinases (RTKs)","MSK subfamily","MSN subfamily","KHS subfamily","CDK1 subfamily","CDK7 subfamily","PAKA subfamily","TAIRE subfamily","MELK subfamily","HIPK subfamily"
,"Alpha subfamily","Opsin/rhodopsin kinases","p70 subfamily","Eta subfamily","Non-receptor tyrosine kinases (nRTKs)","Iota subfamily","YSK subfamily","STE20 subfamily","Dyrk1 subfamily","AMPK subfamil
y","Tousled-like kinase (TLK) family","GSK subfamily","SLK subfamily","NAK family","Erk7 subfamily","MST subfamily","NuaK subfamily","CDK9 subfamily","Numb-associated kinase (NAK) family","CAMKK famil
y","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Typ
e V RTKs: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Meta subfamily"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Neuronal System","Developmental Biology","Cellular responses to external stimuli",Disease,Hemostasis,"Gene expression (Transcription)","Cell Cycle","Immune
 System","Programmed Cell Death",Metabolism,"Vesicle-mediated transport","Signaling by GPCR","Cardiac conduction","Transmission across Chemical Synapses","Nervous system development","Cellular respons
es to stress","Signaling by Receptor Tyrosine Kinases","Infectious disease","Platelet homeostasis","RNA Polymerase II Transcription","Signaling by Rho GTPases","MAPK family signaling cascades",Mitotic
,"Diseases of signal transduction by growth factor receptors and second messengers","MTOR signalling","Innate Immune System","Signaling by Nuclear Receptors",Apoptosis,"Intracellular signaling by seco
nd messengers","Metabolism of carbohydrates","Cytokine Signaling in Immune system","Membrane Trafficking","Signaling by Hippo","GPCR downstream signalling","Ion homeostasis","Neurotransmitter receptor
s and postsynaptic signal transmission","Axon guidance","Cellular Senescence","Signaling by VEGF","HIV Infection","Nitric oxide stimulates guanylate cyclase","Generic Transcription Pathway","RHO GTPas
e Effectors","MAPK1/MAPK3 signaling","M Phase","Mitotic G2-G2/M phases","FLT3 signaling in disease","mTORC1-mediated signalling","Signaling by KIT in disease","Signaling by Insulin receptor","Toll-lik
e Receptor Cascades","Fcgamma receptor (FCGR) dependent phagocytosis","ESR-mediated signaling","Apoptotic execution phase","Signaling by FGFR in disease","DAG and IP3 signaling","Glycogen metabolism",
"Signaling by Interleukins","SARS-CoV Infections","PIP3 activates AKT signaling","Clathrin-mediated endocytosis","Mitotic G1 phase and G1/S transition","G alpha (i) signalling events","Activation of N
MDA receptors and postsynaptic events","Semaphorin interactions","L1CAM interactions","Oxidative Stress Induced Senescence","VEGFA-VEGFR2 Pathway","HIV Life Cycle","EPH-Ephrin signaling","cGMP effects
","Transcriptional Regulation by TP53","RHO GTPases activate PKNs","Glutamate binding","activation of AMPA receptors and synaptic plasticity","RAF/MAP kinase cascade","Mitotic Prophase","G2/M Transiti
on","Signaling by FLT3 ITD and TKD mutants","Drug resistance of KIT mutants","Insulin receptor signalling cascade","G alpha (z) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Role of phosph
olipids in phagocytosis","Extra-nuclear estrogen signaling","Apoptotic cleavage of cellular proteins","Signaling by FGFR1 in disease","CaM pathway","Glycogen breakdown (glycogenolysis)","Interleukin-2
 family signaling","VEGF ligand-receptor interactions","SARS-CoV-1 Infection","Negative regulation of the PI3K/AKT network","Cargo recognition for clathrin-mediated endocytosis","G0 and Early G1","Vis
ual phototransduction","Post NMDA receptor activation events","Sema4D in semaphorin signaling","Recycling pathway of L1","Late Phase of HIV Life Cycle","Ephrin signaling","Regulation of TP53 Activity"
,"Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Trafficking of AMPA receptors","RAS processing","Nuclear Envelope Breakdown","Centrosome maturation"
,"STAT5 activation downstream of FLT3 ITD mutants","Dasatinib-resistant KIT mutants","IRS-mediated signalling","MyD88 cascade initiated on plasma membrane","Estrogen-stimulated signaling through PRKCZ
","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","FGFR1 mutant receptor activation","Calmodulin induced events","Interleukin-15 signaling","VEGF binds to VEGFR leading to receptor
 dimerization","SARS-CoV-1 Genome Replication and Transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated 
activation of RAS signaling","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","Trafficking of GluR2
-containing AMPA receptors","Regulation of TP53 Expression and Degradation","Depolymerisation of the Nuclear Lamina","Loss of proteins required for interphase microtubule organization from the centros
ome","PI3K Cascade","MAP kinase activation","Signaling by activated point mutants of FGFR1","Replication of the SARS-CoV-1 genome","PKA-mediated phosphorylation of CREB","Activation of AMPK downstream
 of NMDARs",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","HIV Transcription Elongation","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx th
rough NMDA receptor","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","PKA activation","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylat
ion","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{AKT1,GSK3B,PRKCA,PRKCB,PRKCD,PRKCG}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{Enzastaurin,170364-57-5,170364575,"Enzastaurin (LY317615)",LY317615,LY-317615,UNII-UC96G28EQF,UNIIUC96G28EQF,"Enzastaurin free base",UC96G28EQF,"LY 317615",CHEMBL300138,"170364-57-5 (free base)","170
364575 (free base)",DSSTox_CID_24029,DSSToxCID24029,DSSTox-CID-24029,"DSSTox CID 24029",DSSTox_RID_80101,DSSToxRID80101,DSSTox-RID-80101,"DSSTox RID 80101",DSSTox_GSID_44029,DSSToxGSID44029,DSSTox-GSI
D-44029,"DSSTox GSID 44029",C32H29N5O2,CAS-170364,CAS170364,T6280,S1055,ENZASTAURIN}

> <pdid>
PD003282

> <targets>
{PKC,"PKC-beta Inhibitors",Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{176167}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  0
    3.8990    0.7455    0.0000 N   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4994    0.7433    0.0000 C   0  0
    7.7985    1.4933    0.0000 C   0  0
    7.7985    2.9933    0.0000 C   0  0
    6.4995    3.7433    0.0000 C   0  0
    5.2004    2.9933    0.0000 C   0  0
    6.4995    5.2440    0.0000 C   0  0
    7.7973    5.9962    0.0000 C   0  0
    7.7950    7.4962    0.0000 C   0  0
    6.4948    8.2442    0.0000 C   0  0
    5.1969    7.4921    0.0000 C   0  0
    5.1993    5.9921    0.0000 C   0  0
    9.0920    8.2513    0.0000 C   0  0
    9.0875    9.7521    0.0000 N   0  0
   10.3828   10.5088    0.0000 C   0  0
   10.3752   12.0087    0.0000 C   0  0
    9.0724   12.7522    0.0000 O   0  0
    7.7772   11.9957    0.0000 C   0  0
    7.7847   10.4957    0.0000 C   0  0
    6.4994   -0.7575    0.0000 N   0  0
    5.2016   -1.5096    0.0000 C   0  0
    5.2039   -3.0096    0.0000 C   0  0
    6.5042   -3.7576    0.0000 N   0  0
    7.8020   -3.0055    0.0000 C   0  0
    7.7996   -1.5055    0.0000 C   0  0
    6.5065   -5.2576    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  1  1  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 23 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 16 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 34  1  0
 37 40  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13278

> <plate>
PLATE 004

> <well>
E8

> <supplier_cmpd_name>
OICR-9429

> <ctcr_id>
11547

> <supplier_cmpd_id>
T6916

> <smiles>
c1c(c(cc(=O)[nH]1)C(F)(F)F)C(=O)Nc1c(ccc(c1)c1cc(ccc1)CN1CCOCC1)N1CCN(CC1)C

> <pd_targets>
{WDR5}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{"Other protein targets","WD repeat-containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{WDR5}

> <broad_moa>
{"WDR5/MLL interaction inhibitor"}

> <synonyms>
{ICR942,OICR-9429,OICR9429,1801787-56-3,1801787563,CHEMBL3798846,"OICR 9429",GTPL8231,SCHEMBL20896072,BCP18185,EX-A2417,EXA2417,BDBM50164794,MFCD28411621,NSC786093,NSC788992,s7833,AKOS025147341,ZINC23
1558892,CCG-270032,CCG270032,CS-5776,CS5776,NSC-786093,NSC-788992,SB19642,NCGC00371263-02,NCGC0037126302,T6916}

> <pdid>
PD000011

> <targets>
{WDR5}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{91623360}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    5.9880    2.5249    0.0000 C   0  0
    7.4132    2.9954    0.0000 C   0  0
    7.7191    4.4639    0.0000 N   0  0
    5.6819    1.0557    0.0000 N   0  0
    6.8010    0.0568    0.0000 C   0  0
    4.2567    0.5852    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  1  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11  7  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13279

> <plate>
PLATE 004

> <well>
E9

> <supplier_cmpd_name>
MS023

> <ctcr_id>
12578

> <supplier_cmpd_id>
T6900

> <smiles>
C(CN)N(C)Cc1c[nH]cc1c1ccc(cc1)OC(C)C

> <pd_targets>
{PRMT6,CARM1,PRMT8,PRMT1,PRMT3}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Gene expression (Transcription)","Chromatin organization","RNA Polymerase II Transcription","Chromatin modifying enzymes","Generic Transcription Pathway","RMTs methylate histone arginines","Transcri
ptional regulation by RUNX1","Transcriptional Regulation by TP53","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","TP53 Regulates Transcription of Cell Cycle Ge
nes","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1831110-54-3,1831110543,"MS023 free base","1831110-54-3 (free base)","1831110543 (free base)","MS023 (Compound 3)",GTPL8955,CHEMBL3901808,SCHEMBL22854461,BDBM178103,BCP17093,EX-A1023,EXA1023,MFCD2992
4734,MS-023,s8112,AKOS030526675,ZINC263620427,CCG-267354,CCG267354,CS-5481,CS5481,AC-33106,AC33106,AK547578,BS-15,BS15,T6900,MS023}

> <pdid>
PD000026

> <targets>
{PRMT1,PRMT3,PRMT4,PRMT6,PRMT8}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{92136227}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 49 54  0  0  1  0            999 V2000
   11.6443  -12.7813    0.0000 N   0  0
   12.9483  -12.0399    0.0000 C   0  0
   14.2424  -12.7985    0.0000 O   0  0
   12.9583  -10.5400    0.0000 C   0  0  2  0  0  0
   11.6643   -9.7813    0.0000 N   0  0
   10.3603  -10.5228    0.0000 C   0  0
   10.3503  -12.0227    0.0000 C   0  0
   11.6712   -8.2805    0.0000 C   0  0
   10.3753   -7.5233    0.0000 C   0  0
   10.3822   -6.0225    0.0000 O   0  0
    9.0864   -5.2653    0.0000 C   0  0
    9.0912   -3.7653    0.0000 C   0  0
    7.7945   -3.0112    0.0000 C   0  0
    6.4930   -3.7570    0.0000 C   0  0
    6.4884   -5.2570    0.0000 C   0  0
    7.7850   -6.0111    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 O   0  0
   -4.6580   -2.9476    0.0000 C   0  0
   14.2623   -9.7986    0.0000 C   0  0
   11.6344  -14.2813    0.0000 C   0  0
   20.6607   -6.3893    0.0000 C   0  0
   20.6607   -4.8892    0.0000 C   0  0
   19.3617   -4.1393    0.0000 C   0  0
   18.0626   -4.8893    0.0000 C   0  0
   18.0626   -6.3893    0.0000 C   0  0
   19.3617   -7.1393    0.0000 C   0  0
   16.7636   -4.1393    0.0000 O   0  0
   21.9597   -4.1392    0.0000 C   0  0
   23.2588   -4.8892    0.0000 C   0  0
   23.2588   -6.3892    0.0000 C   0  0
   21.9597   -7.1392    0.0000 C   0  0
   24.5570   -7.1423    0.0000 C   0  0
   24.5549   -8.6423    0.0000 O   0  0
   25.8573   -6.3946    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  1  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 26  2  0
 29 32  1  0
 32 33  1  0
  4 34  1  6
  1 35  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
 39 42  1  0
 37 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 36  1  0
 45 47  1  0
 47 48  2  0
 47 49  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13280

> <plate>
PLATE 004

> <well>
E10

> <supplier_cmpd_name>
AZD5153 6-Hydroxy-2-naphthoic acid

> <ctcr_id>
12489

> <supplier_cmpd_id>
T3504

> <smiles>
N1(C(=O)[C@H](N(CC1)CCOc1ccc(cc1)C1CCN(CC1)c1ccc2n(n1)c(nn2)OC)C)C.c12c(cc(cc1)O)ccc(c2)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{86991240,1869912-40-2,1869912402,"AZD5153 6-Hydroxy-2-naphthoic acid","AZD5153 6Hydroxy2naphthoic acid","AZD-5153 HNT salt","AZD5153 HNT salt",UNII-78VBM99SEV,UNII78VBM99SEV,"AZD-5153 6-hydroxy-2-nap
hthoic acid","AZD5153 6hydroxy2naphthoic acid",78VBM99SEV,"AZD5153 (6-Hydroxy-2-naphthoic acid)","AZD5153 (6Hydroxy2naphthoic acid)","1869912-40-2 (HNT salt)","1869912402 (HNT salt)",SCHEMBL17477281,B
CP20066,EX-A2548,EXA2548,s8344,CC,T3504}

> <pdid>
PD063497

> <targets>
{BD1-BRD4,FL-BRD4,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{118693658}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9008    5.2492    0.0000 O   0  0
   -2.6018    5.9994    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.5018    3.7420    0.0000 C   0  0
   -7.7993    2.9876    0.0000 N   0  0
   -9.1010    3.7329    0.0000 C   0  0
   -7.7943    1.4876    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 O   0  0
   -6.4894   -0.7589    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20  7  1  0
  6 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26  2  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13281

> <plate>
PLATE 004

> <well>
E11

> <supplier_cmpd_name>
BI-7273

> <ctcr_id>
12490

> <supplier_cmpd_id>
T6783

> <smiles>
O=c1n(C)cc(c2cc(OC)c(CN(C)C)c(OC)c2)c2ccncc12

> <pd_targets>
{TGFBR1,BRD9,BRD7,ACVR1,CECR2}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,"Protein Kinase",Bromodomain,"TKL protein kinase group","TKL protein kinase STKR family","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STK
R1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Chromatin modifying enzymes","Bromodomain-containing proteins","Receptor kinases","Enzymatic bromodomain-containing proteins","Non-enz
ymatic BRD containing proteins","TKL: Tyrosine kinase-like","Bromodomain kinase (BRDK) family","Receptor serine/threonine kinase (RSTK) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Signaling by TGF-beta Receptor Complex 
in Cancer","Generic Transcription Pathway","Loss of Function of SMAD2/3 in Cancer","Transcriptional Regulation by TP53","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Regulation of TP53 Activity",
"Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{I727,BI-7273,BI7273,1883429-21-7,1883429217,CHEMBL3823478,5SW,GTPL9146,SCHEMBL19869878,EX-A990,EXA990,BCP17545,BDBM50183448,MFCD30489736,s8179,ZINC575448880,CCG-268068,CCG268068,CS-5887,CS5887,HY-100
351,HY100351,J3.533.936A,A16068,Q27075221,T6783}

> <pdid>
PD049397

> <targets>
{BRD7,BRD9}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{118796358}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 33  0  0  1  0            999 V2000
    3.1476   -0.7184    0.0000 O   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -3.9436    1.2730    0.0000 C   0  0
   -5.1841    2.1164    0.0000 C   0  0
   -6.5348    1.4639    0.0000 C   0  0
   -6.6450   -0.0321    0.0000 C   0  0
   -8.1010   -0.3896    0.0000 N   0  0
   -8.6680   -1.7783    0.0000 C   0  0
   -8.8911    0.8855    0.0000 N   0  0
   -7.9226    2.0309    0.0000 C   0  0
   -8.2801    3.4885    0.0000 C   0  0
   -9.6125    4.1383    0.0000 C   0  0
   -9.3854    5.6210    0.0000 N   0  0
  -10.4515    6.6763    0.0000 C   0  0
   -7.9051    5.8633    0.0000 N   0  0
   -7.2173    4.5302    0.0000 C   0  0
   -5.4046   -0.8755    0.0000 C   0  0
   -4.0540   -0.2230    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
   -1.4008   -2.9088    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 17  1  0
 12 23  1  0
 23 24  2  0
 24  9  1  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  1
 27 29  1  0
 29  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13282

> <plate>
PLATE 004

> <well>
F2

> <supplier_cmpd_name>
CPI-637

> <ctcr_id>
11343

> <supplier_cmpd_id>
T6811

> <smiles>
O=C1Nc2cccc(c3cc4c(n(C)nc4c4cn(C)nc4)cc3)c2N[C@H](C)C1

> <pd_targets>
{BRD4,CREBBP,CECR2,BRD9,EP300}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al Regulation by TP53","TP53 Regulates Transcription of Cell Death Genes","Regulation of TP53 Activity","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","Regulation of TP53 Act
ivity through Acetylation","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PI63,CPI-637,CPI637,1884712-47-3,1884712473,CHEMBL3814752,SCHEMBL17673230,EX-A2386,EXA2386,BDBM50178219,s8190,ZINC575440970,CCG-268482,CCG268482,CS-5946,CS5946,BS-16173,BS16173,HY-100482,HY100482,Q27
456285,C(C@H)1NC2=C(NC(C1)=O)C=CC=C2C=1C=C2C(=NN(C2=CC=1)C)C=1C=NN(C=1)C,T6811}

> <pdid>
PD057507

> <targets>
{BRD4,CBP,EP300,Epigenetic Reader Domain,Histone Acetyltransferase}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{121271792}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    4.1954   -3.3457    0.0000 C   0  0
    3.0226   -2.4104    0.0000 C   0  0
    3.0899   -0.9120    0.0000 S   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    2.3882    2.1623    0.0000 C   0  0
    3.8746    1.9610    0.0000 C   0  0
    1.6774    3.4832    0.0000 N   0  0
    0.2015    3.2154    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5283    2.0123    0.0000 C   0  0
   -3.9246    1.4620    0.0000 C   0  0
   -4.1456   -0.0216    0.0000 O   0  0
   -5.0999    2.3954    0.0000 N   0  0
   -6.4962    1.8451    0.0000 C   0  0
   -7.6722    2.7762    0.0000 C   0  0
   -9.0667    2.2234    0.0000 C   0  0
   -9.2851    0.7394    0.0000 C   0  0
  -10.6795    0.1865    0.0000 O   0  0
   -8.1091   -0.1918    0.0000 C   0  0
   -6.7147    0.3610    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.4011   -2.9095    0.0000 C   0  0
   -2.9046   -2.9463    0.0000 C   0  0
   -3.6237   -4.2627    0.0000 C   0  0
   -2.8432   -5.5436    0.0000 C   0  0
   -3.5623   -6.8600    0.0000 Cl  0  0
   -1.3436   -5.5082    0.0000 C   0  0
   -0.6245   -4.1918    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.5767   -2.8095    0.0000 C   0  0
    1.0497   -4.2139    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
 11 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 24 32  1  0
 32  4  2  0
 32 33  1  0
 33  2  2  0
 33 34  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13283

> <plate>
PLATE 004

> <well>
F3

> <supplier_cmpd_name>
Birabresib

> <ctcr_id>
3404

> <supplier_cmpd_id>
T6032

> <smiles>
Cc1sc2n3c(C)nnc3C(CC(=O)Nc4ccc(O)cc4)N=C(c5ccc(Cl)cc5)c2c1C

> <pd_targets>
{BRD4,BRD2,BRD3,BRDT}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al regulation by RUNX3","RUNX3 regulates p14-ARF"}

> <broad_targets>
{BRD2,BRD3,BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{CHEMBL4127310,1983196-25-3,1983196253,Y-803,Y803,SCHEMBL16448101,HMS3653O16,HMS3750K13,BCP09079,BDBM50273482,NCGC00387876-03,NCGC0038787603,AK315361,DA-43324,DA43324,FT-0700258,FT0700258,SW220079-1,S
W2200791,"OTX015; OTX-015; OTX 015; MK-8628; MK 8628; MK8628","OTX015; OTX015; OTX 015; MK8628; MK 8628; MK8628",T6032,S7360,Birabresib,OTX015}

> <pdid>
PD012534

> <targets>
{BET}

> <classes>
{Epigenetics}

> <pubchem_cids>
{19704956}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 S   0  0
   -6.5036    5.2446    0.0000 O   0  0
   -7.7978    2.9922    0.0000 O   0  0
   -7.8008    4.4919    0.0000 C   0  0
    0.3114    2.9665    0.0000 N   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4133    1.7530    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.0312   -5.2378    0.0000 O   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  1  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
  3 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
  1 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 22  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13284

> <plate>
PLATE 004

> <well>
F4

> <supplier_cmpd_name>
EED226

> <ctcr_id>
12000

> <supplier_cmpd_id>
T3458

> <smiles>
c1(n2c(c(cn1)c1ccc(cc1)S(=O)(=O)C)nnc2)NCc1occc1

> <pd_targets>
{EED}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{Enzymes,"Ceramide turnover","Neutral sphingomyelinase coupling factors"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EED}

> <broad_moa>
{"polycomb protein inhibitor"}

> <synonyms>
{EED226,2083627-02-3,2083627023,EED-226,CHEMBL4065484,SCHEMBL20867769,BDBM225230,BCP19849,EX-A1724,EXA1724,NSC803408,s8496,AKOS030632048,ACN-051243,ACN051243,CCG-268284,CCG268284,CS-6391,CS6391,NSC-80
3408,SB40406,AC-29879,AC29879,AK684382,AS-74203,AS74203,HY-101117,HY101117,J3.609.221A,T3458}

> <pdid>
PD056973

> <targets>
{EED,PRC2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{123132228}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -9.5055   -3.7709    0.0000 C   0  0
   -8.0474   -3.4190    0.0000 N   0  0
   -7.0123   -4.5057    0.0000 C   0  0
   -5.5533   -4.1536    0.0000 C   0  0
   -4.5172   -5.2383    0.0000 C   0  0
   -3.0598   -4.8833    0.0000 C   0  0
   -2.6408   -3.4482    0.0000 C   0  0
   -3.6746   -2.3590    0.0000 C   0  0
   -5.1320   -2.7140    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 C   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    2.7062   -3.2328    0.0000 C   0  0
    3.6761   -2.0885    0.0000 C   0  0
    5.1520   -2.3564    0.0000 F   0  0
    3.1701   -0.6764    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    7.6534   -2.3620    0.0000 O   0  0
    8.9527   -1.6124    0.0000 P   0  0
    8.9527   -0.1124    0.0000 O   0  0
    8.9527   -3.1124    0.0000 O   0  0
   10.2520   -2.3620    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 10  2  0
 23 24  1  0
 24 12  1  0
 24 17  2  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13285

> <plate>
PLATE 004

> <well>
F5

> <supplier_cmpd_name>
Rucaparib Phosphate

> <ctcr_id>
1217

> <supplier_cmpd_id>
T6127

> <smiles>
CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34.O[P](O)(O)=O

> <pd_targets>
{DYRK1A,PARP12,PARP1,PARP4,PARP3,PARP14,PRKD2,PARP2,PARP15,PARP10,TNKS2,PIM1,CDK1,TNKS,H6PD}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","CMGC protein kinase DYRK family","CAMK protein kinase PKD family","CAMK protein kinase PIM family",
"CMGC protein kinase CDK family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Poly ADP-ribose polymerases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Dual-specificity tyrosine-(Y)-phosph
orylation regulated kinase (DYRK) family","Protein kinase D (PKD) family","PIM family","Cyclin-dependent kinase (CDK) family","Dyrk1 subfamily","CDK1 subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,"DNA Repair","Signal Transduction",Mitotic,"Infectious disease","Metabolism of lipids","Base Excision Repair","Intracellular signaling by second messengers","Diseases 
of signal transduction by growth factor receptors and second messengers","Mitotic G1 phase and G1/S transition","Influenza Infection","SARS-CoV Infections","Sphingolipid metabolism","Resolution of Aba
sic Sites (AP sites)","PIP3 activates AKT signaling","FLT3 signaling in disease","Regulation of mitotic cell cycle","G0 and Early G1","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 In
fection","Sphingolipid de novo biosynthesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PTEN Regulation","Signaling by FLT3 ITD and TKD mutants","APC/C-mediated de
gradation of cell cycle proteins","vRNA Synthesis","Translation of structural proteins","POLB-Dependent Long Patch Base Excision Repair","Regulation of PTEN stability and activity","STAT5 activation d
ownstream of FLT3 ITD mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Maturation of nucleoprotein","APC/C:Cdc20 mediated degradation of mitotic proteins","APC:
Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{"Rucaparib phosphate",459868-92-9,459868929,AG-014699,AG014699,PF-01367338,PF01367338,"Rucaparib (phosphate)","AG 014699","Rucaparib (AG-014699,PF-01367338)","Rucaparib (AG014699,PF01367338)",AG-1469
9,AG14699,AG-014447,AG014447,UNII-H3M9955244,UNIIH3M9955244,"459868-92-9 (phosphate)","459868929 (phosphate)","Rucaparib phosphate (USAN)",H3M99552,T4463,T6127,756644,S1098,Rucaparib,"Rucaparib Phosph
ate","Rucaparib (AG-014699 , PF-01367338)"}

> <pdid>
PD018527

> <targets>
{PARP}

> <classes>
{}

> <pubchem_cids>
{9931953}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 O   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13286

> <plate>
PLATE 004

> <well>
F6

> <supplier_cmpd_name>
SMI-16a

> <ctcr_id>
7704

> <supplier_cmpd_id>
T3989

> <smiles>
CCCOc1ccc(cc1)/C=C/2SC(=O)NC2=O

> <pd_targets>
{PIM2,PIM1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","FLT3 signaling in disease","Signaling by FLT3 ITD and TKD mutants","STAT5 activation downstream of FLT3 ITD
 mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MI16,SMI-16a,SMI16a,"(5Z)-5-((4-propoxyphenyl)methylidene)-1,3-thiazolidine-2,4-dione","(5Z)5((4propoxyphenyl)methylidene)1,3thiazolidine2,4dione","(Z)-5-(4-Propoxybenzylidene)thiazolidine-2,4-dione"
,"(Z)5(4Propoxybenzylidene)thiazolidine2,4dione",1099596-27-6,1099596276,587852-28-6,587852286,"(5Z)-5-(4-propoxybenzylidene)-1,3-thiazolidine-2,4-dione","(5Z)5(4propoxybenzylidene)1,3thiazolidine2,4d
ione",CHEMBL84558,SCHEMBL2544367,SCHEMBL2,"EMD 526524",526524}

> <pdid>
PD015751

> <targets>
{"PIM1/2 Kinase Inhibitor VI"}

> <classes>
{}

> <pubchem_cids>
{6076476}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 20  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 O   0  0
    0.0093   -6.0025    0.0000 O   0  0
    2.6016   -2.9971    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  3
    1.2993    3.7521    0.0000 C   0  0
    1.2992    5.2529    0.0000 C   0  0
    2.5978    6.0037    0.0000 Cl  0  0
   -1.2999    3.7508    0.0000 C   0  0
   -1.3014    5.2516    0.0000 C   0  0
   -2.6007    6.0012    0.0000 Cl  0  0
   -0.0007    4.5008    0.0000 O   0  5
    7.6078    0.0006    0.0000 Cl  0  0
    5.1078    0.0006    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  6
  3 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
 13 20  1  0
M  CHG  2  13   1  20  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13287

> <plate>
PLATE 004

> <well>
F7

> <supplier_cmpd_name>
PX-478 2HCl

> <ctcr_id>
11503

> <supplier_cmpd_id>
T6961

> <smiles>
c1cc(ccc1C[C@@H](C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl

> <pd_targets>
{HIF1A}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{"X478 2HC",PX-478,PX478,685898-44-6,685898446,"PX-478 2HCl","PX478 2HCl",UNII-T23U22X160,UNIIT23U22X160,"PX 478","PX-478 HCl","PX478 HCl",CHEMBL4061538,T23U22X160,"685898-44-6 (HCl)","685898446 (HCl)
","L-Phenylalanine, 4-(bis(2-chloroethyl)oxidoaMino)-, (Hydrochloride) (1","LPhenylalanine, 4(bis(2chloroethyl)oxidoaMino), (Hydrochloride) (1","PX-478 dihydrochloride","PX478 dihydrochloride",4-(Bis(
2-chloroethyl),4(Bis(2chloroethyl),T6961}

> <pdid>
PD062187

> <targets>
{HIF-1¦Á,Autophagy,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11234794}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 45 50  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0  1  0  0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0  2  0  0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0  2  0  0  0
   -1.3144  -14.2548    0.0000 O   0  0
   -0.0162  -15.0079    0.0000 C   0  0
   -0.0161  -16.5079    0.0000 C   0  0
    1.2830  -17.2579    0.0000 C   0  0
    2.5820  -16.5079    0.0000 C   0  0
    2.5820  -15.0079    0.0000 C   0  0
    1.2830  -14.2579    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0  2  0  0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
 18 19  1  1
 20 19  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 24 32  1  0
 32 33  1  6
 32 34  1  0
 34 20  1  0
 18 35  1  0
 35 13  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 10  1  0
 38 39  1  0
 39 40  2  0
 39 41  1  0
 41  3  1  0
 41  7  2  0
 15 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13288

> <plate>
PLATE 004

> <well>
F8

> <supplier_cmpd_name>
Pirarubicin

> <ctcr_id>
7107

> <supplier_cmpd_id>
T6628

> <smiles>
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](OC6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

> <pd_targets>
{KMT2A,MEN1,BLM,HTT,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein","Transcription factor",Reader,"Nuclear receptor",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F"
,"Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Generic Transcription Pathway","Homology Directed Repair","Transcriptional regulatio
n by RUNX1","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","RUNX1 regulates genes involved in
 megakaryocyte differentiation and platelet function","HDR through Homologous Recombination (HRR)","Regulation of MECP2 expression and activity","RUNX3 Regulates Immune Response and Cell Migration","H
omologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{HPADRIAMYCI,Therarubicin,pirarubicin,THP-ADM,THPADM,Theprubicin,72496-41-4,72496414,Pinorubicin,Pinorubin,"Pirarubicin, >=95 (HPLC)",SR-01000944915,SR01000944915,SR-01000944915-1,SR010009449151,S1393
,Pirarubicin}

> <pdid>
PD014438

> <targets>
{Topoisomerase}

> <classes>
{}

> <pubchem_cids>
{6917695}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 14 12  0  0  1  0            999 V2000
    2.1621   -7.4180    0.0000 C   0  0
    1.2830   -6.2026    0.0000 O   0  0
    1.8954   -4.8324    0.0000 C   0  0
    3.3874   -4.6783    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0  2  0  0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.4763   -3.7706    0.0000 N   0  0
    8.3882   -3.0713    0.0000 Cl  0  0
    5.8882   -3.0713    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
  5 12  1  1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13289

> <plate>
PLATE 004

> <well>
F9

> <supplier_cmpd_name>
Methyl L-histidinate dihydrochloride

> <ctcr_id>
11644

> <supplier_cmpd_id>
T3937

> <smiles>
COC(=O)[C@H](Cc1cnc[nH]1)N.Cl.Cl

> <pd_targets>
{HDC}

> <pathway_gtopdb>
{Enzyme,Lyase}

> <pathway_chembl>
{Enzymes,"Carboxylases and decarboxylases",Decarboxylases}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Histidine catabolism"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{38987,7389-87-9,7389879,H-His-OMe.2HCl,HHisOMe.2HCl,"L-Histidine methyl ester dihydrochloride","LHistidine methyl ester dihydrochloride","Methyl L-histidinate dihydrochloride","Methyl Lhistidinate di
hydrochloride","L-Histidine, methyl ester, dihydrochloride","LHistidine, methyl ester, dihydrochloride","(S)-Methyl 2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride","(S)Methyl 2amino3(1Himidazo
l4yl)propanoate dihydrochloride",MFCD00012701,(S)-METHYL,(S)METHYL,T3937}

> <pdid>
PD045349

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{2723645}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 N   0  0
    6.3509   -2.2515    0.0000 C   0  0
    7.3538   -3.3681    0.0000 C   0  0
    8.8221   -3.0611    0.0000 C   0  0
    9.8221   -4.1791    0.0000 C   0  0
    9.3539   -5.6041    0.0000 N   0  0
    7.8857   -5.9112    0.0000 C   0  0
    6.8856   -4.7932    0.0000 C   0  0
   10.3545   -6.7227    0.0000 C   0  0
   11.8233   -6.4180    0.0000 N   0  0
   12.8215   -7.5376    0.0000 C   0  0
   12.3511   -8.9619    0.0000 C   0  0
   10.8823   -9.2667    0.0000 C   0  0
    9.8841   -8.1471    0.0000 N   0  0
   13.3476  -10.0842    0.0000 C   0  0
   14.8168   -9.7820    0.0000 O   0  0
   12.8748  -11.5086    0.0000 N   0  0
   13.8708  -12.6303    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
  4 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29  2  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13290

> <plate>
PLATE 004

> <well>
F10

> <supplier_cmpd_name>
Quisinostat

> <ctcr_id>
3828

> <supplier_cmpd_id>
T6055

> <smiles>
Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14

> <pd_targets>
{HDAC1,HDAC5,HDAC6,HDAC8,HDAC9,HDAC7,HDAC10,HDAC11,HDAC3,HDAC4,HDAC2,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IIb","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Trans
cription",Mitotic,"Disorders of Nervous System Development","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","M Phase","Pervasive developmental disorders","Signaling by NOTCH1 HD+PEST D
omain Mutants in Cancer","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Constitutive Signalin
g by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates bone development","Mitotic Anaphase","Regulation of TP53 Activity","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast different
iation","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex","RUNX2 regulates chondrocyte maturation","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,MDM2}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{NJ2648158,QUISINOSTAT,875320-29-9,875320299,JNJ-26481585,JNJ26481585,UNII-9BJ85K1J8S,UNII9BJ85K1J8S,"JNJ 26481585",9BJ85K1J8S,"Quisinostat (JNJ-26481585)","Quisinostat (JNJ26481585)","JNJ 26481585 di
hydrochloride","Quisinostat (USAN:INN)",GOK,"Quisinostat (USAN/INN)",MLS006011096,GTPL7503,SCHEMBL2360460,T6055,S1096,Quisinostat}

> <pdid>
PD011142

> <targets>
{HDAC Inhibitors,Apoptosis,Autophagy,HDAC}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{11538455}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 31  0  0  0  0            999 V2000
    6.3830   -0.4464    0.0000 Cl  0  0
    4.9053   -0.7043    0.0000 C   0  0
    4.3898   -2.1129    0.0000 C   0  0
    2.9121   -2.3708    0.0000 C   0  0
    1.9500   -1.2200    0.0000 C   0  0
    2.4655    0.1886    0.0000 C   0  0
    3.9432    0.4465    0.0000 C   0  0
    0.4600   -1.4800    0.0000 C   0  0
   -1.4000   -1.8100    0.0000 C   0  0
   -2.8500   -1.5200    0.0000 C   0  0
   -4.4800   -2.2100    0.0000 C   0  0
   -2.6000   -2.1800    0.0000 C   0  0
   -2.5400   -1.3600    0.0000 C   0  0
   -1.2300   -0.3200    0.0000 C   0  0
   -2.8500   -0.7400    0.0000 C   0  0
    0.4900   -0.6700    0.0000 C   0  0
   -1.2964    1.1627    0.0000 C   0  0
   -2.6255    1.8579    0.0000 O   0  0
   -0.0293    1.9670    0.0000 N   0  0
   -0.0913    3.4665    0.0000 C   0  0
    1.1758    4.2708    0.0000 C   0  0
    1.1160    5.7697    0.0000 C   0  0
    2.3841    6.5709    0.0000 C   0  0
    3.7120    5.8734    0.0000 N   0  0
    3.7719    4.3746    0.0000 C   0  0
    2.5039    3.5733    0.0000 C   0  0
   -1.1200   -2.5800    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 14 16  1  0
 16  8  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 12 27  1  0
 27  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13291

> <plate>
PLATE 004

> <well>
F11

> <supplier_cmpd_name>
ABC294640

> <ctcr_id>
8212

> <supplier_cmpd_id>
T6750

> <smiles>
Clc1ccc(cc1)C23CC4CC(CC(C4)(C2)C(=O)NCc5ccncc5)C3

> <pd_targets>
{SPHK2}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{Enzymes,"Sphingosine 1-phosphate turnover","Sphingosine kinase"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Sphingolipid metabolism","Sphingolipid de novo biosynthesis"}

> <broad_targets>
{SPHK2}

> <broad_moa>
{"sphingosine kinase inhibitor"}

> <synonyms>
{ABC294640,915385-81-8,915385818,Opaganib,ABC-294640,"ABC 294640",3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide,3(4chlorophenyl)N(pyridin4ylmethyl)adamantane1carboxamide,CHEMBL2158
685,UNII-DRG21OQ517,UNIIDRG21OQ517,DRG21OQ517,"Opaganib (ABC294640)",Yeliva,ABC294640Opaganib,GTPL6624,SCHEMBL1548333,CHEBI:12496,T6750,S7174}

> <pdid>
PD021509

> <targets>
{"S1P Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{15604015}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   14.8526    1.2998    0.0000 C   0  0
   14.1044   -0.0002    0.0000 C   0  0
   12.6036   -0.0033    0.0000 C   0  0
   11.8550   -1.3041    0.0000 O   0  0
   10.3542   -1.3071    0.0000 C   0  0
    9.6041   -2.6061    0.0000 C   0  0
    8.1041   -2.6061    0.0000 C   0  0
    7.3541   -1.3070    0.0000 C   0  0
    8.1042   -0.0080    0.0000 C   0  0
    9.6042   -0.0080    0.0000 C   0  0
    5.8533   -1.3039    0.0000 C   0  0
    5.1047   -0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.1904    2.6376    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1253    4.3743    0.0000 N   0  0
    6.5925    4.6865    0.0000 C   0  0
    7.0558    6.1132    0.0000 C   0  0
    6.0519    7.2277    0.0000 O   0  0
    4.5847    6.9156    0.0000 C   0  0
    4.1214    5.4890    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 O   0  0
   -4.2010   -3.2957    0.0000 N   0  0
   -2.7343   -2.9815    0.0000 C   0  0
   -1.6120   -3.9767    0.0000 C   0  0
   -4.2566    0.5871    0.0000 C   0  0
   17.3530    1.6252    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 16 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 15  1  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 30  1  0
 34 35  1  0
 31 36  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13292

> <plate>
PLATE 004

> <well>
G2

> <supplier_cmpd_name>
PF-CBP1 hydrochloride

> <ctcr_id>
12502

> <supplier_cmpd_id>
T3217

> <smiles>
CCCOc1ccc(cc1)CCc1nc2c(n1CCN1CCOCC1)ccc(c2)c1c(onc1C)C.Cl

> <pd_targets>
{CREBBP,BRD4,ADRA1A,CACNA1C,CACNA1D,CACNA1F,CACNA1S,EP300}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor","Ion channel",Writer,Reader,"Family A G protein-coupled receptor","Voltage-gated ion channel","Histone acetyltransferase",Bromodomain,"Small molecule recept
or (family A GPCR)","Voltage-gated calcium channel","p300/CBP family","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Bromodomain-containing proteins","Chromatin modifying enzymes","G protein-coupled receptors","Non-enzymatic BRD containing proteins","Enzymatic bromodomain-
containing proteins",Adrenoceptors,"Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Signal Transduction","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR","Generic Transcription Pathway","SARS-CoV Infections","GPCR 
ligand binding","Transcriptional Regulation by TP53","Potential therapeutics for SARS","Class A/1 (Rhodopsin-like receptors)","TP53 Regulates Transcription of Cell Death Genes","Amine ligand-binding r
eceptors","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release",Adrenoceptors}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FCBP1 HYDROCHLORID","PF-CBP1 HCl","PFCBP1 HCl","PF-CBP1 hydrochloride","PFCBP1 hydrochloride",2070014-93-4,2070014934,"2070014-93-4 (HCl)","2070014934 (HCl)","PF-CBP1 (hydrochloride)","PFCBP1 (hydro
chloride)",EX-A4474A,EXA4474A,HY-19999A,HY19999A,MFCD29924742,s8180,AKOS032945044,CCG-269885,CCG269885,CS-5546,CS5546,T3217}

> <pdid>
PD016966

> <targets>
{CREBBP,p300/CBP}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{119081416}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13293

> <plate>
PLATE 004

> <well>
G3

> <supplier_cmpd_name>
lutidinic acid

> <ctcr_id>
13143

> <supplier_cmpd_id>
T2167

> <smiles>
OC(=O)c1ccnc(c1)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pyridine-2,4-dicarboxylic acid","Pyridine2,4dicarboxylic acid",499-80-9,499809,"2,4-PYRIDINEDICARBOXYLIC ACID","2,4PYRIDINEDICARBOXYLIC ACID","Lutidinic acid","2,4-Lutidinic acid","2,4Lutidinic acid
","2,4-PDCA","2,4PDCA",UNII-AFI29F0TVL,UNIIAFI29F0TVL,MFCD00149413,AFI29F0TVL,CHEBI:44737,"EC 207-892-2","EC 2078922","2,4-Pyridinedicarboxylic acid hydrate, 99+","2,4Pyridinedicarboxylic acid hydrate
, 99+",4nr,T2167,"lutidinic acid"}

> <pdid>
PD018894

> <targets>
{hydroxylases,"lysine demethylases"}

> <classes>
{Others}

> <pubchem_cids>
{10365}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7988    1.4819    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 16 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13294

> <plate>
PLATE 004

> <well>
G4

> <supplier_cmpd_name>
UNC 926 hydrochloride

> <ctcr_id>
12465

> <supplier_cmpd_id>
T4012

> <smiles>
C1CCN(C1)C1CCN(CC1)C(=O)c1cc(ccc1)Br

> <pd_targets>
{L3MBTL1,L3MBTL3,L3MBTL4}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,"Methyl-lysine/arginine binding protein","MBT domain"}

> <pathway_chembl>
{"Other protein targets","Chromatin-interacting transcriptional repressors","Methyllysine reader proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{L3MBTL1}

> <broad_moa>
{"MBT inhibitor"}

> <synonyms>
{UNC-926,UNC926,1184136-10-4,1184136104,"UNC 926 hydrochloride","UNC 926","UNC-926 free base","UNC926 free base",CHEMBL2426369,"1184136-10-4 (free base)","1184136104 (free base)",(3-Bromophenyl)(4-(1-
pyrrolidinyl)-1-piperidinyl)methanone,(3Bromophenyl)(4(1pyrrolidinyl)1piperidinyl)methanone,(3-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl),(3bromophenyl)(4pyrrolidin1ylpiperidin1yl),T4012}

> <pdid>
PD040278

> <targets>
{L3MBTL1}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{61041645}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 O   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  4  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13295

> <plate>
PLATE 004

> <well>
G5

> <supplier_cmpd_name>
Cinnamaldehyde

> <ctcr_id>
12088

> <supplier_cmpd_id>
T4S1551

> <smiles>
C1=CC=C(C=C1)C=CC=O

> <pd_targets>
{ALOX5,RORC,TRPA1,LMNA,FTSZ,XDH,STX1,ALDH1A1,TRPV3}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Ion channel","Other nuclear protein","Other cytosolic protein","Unclassified protein",Oxidoreductase,"Nuclear receptor","Voltage-gated ion channel","Nuclear hormone rec
eptor subfamily 1","Transient receptor potential channel","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Eicosanoid turnover","Nuclear hormone receptors","Voltage-gated ion channels","1.-.-.- Oxidoreductases",Lipoxygenases,"1F. Retinoic acid-related orphans","Transient 
Receptor Potential channels"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Transport of small molecules","Cell Cycle","Metabolism of lipids","RNA Polymerase II Transcription","Ion channel transport",Mitotic,"Metabolism of nucleo
tides","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Stimuli-sensing channels","M Phase","Nucleobase catabolism","Phase I - Funct
ionalization of compounds","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX3","TRP channels","Mitotic Metaphase and Anaphase","Purine catabolism","Ethanol oxidation","Biosynthesi
s of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Biosynthesis of DPAn-3-derived 13-series resolvins","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear
 Envelope (NE) Reformation"}

> <broad_targets>
{TRPA1}

> <broad_moa>
{"aldose reductase inhibitor","TRPV agonist"}

> <synonyms>
{3-phenylprop-2-enal,3phenylprop2enal,3-phenyl-propenal,3phenylpropenal,"Aldehyd skoricovy","Abion CA",formylstyrene,"NSC 16935",trans-Phenylacrolein,transPhenylacrolein,3-phenyl-prop-2-enal,ACMC-209c
ra,ACMC209cra,DSSTox_CID_4835,DSSToxCID4835,DSSTox-CID-4835,"DSSTox CID 4835","Propenaldehyde, 3-phenyl-","Propenaldehyde, 3phenyl",3-phenyl-2-propen-1-one,3phenyl2propen1one,3-phenylprop-2-en-,3pheny
lprop2en,T4S1551,T3S1553,Cinnamaldehyde,"Cinnamic aldehyde"}

> <pdid>
PD013956

> <targets>
{COX-2}

> <classes>
{Neuroscience}

> <pubchem_cids>
{307}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -7.8029    2.9887    0.0000 O   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0007    1.4773    0.0000 C   0  0
  -14.2971    0.7228    0.0000 C   0  0
  -14.2919   -0.7772    0.0000 C   0  0
  -15.5883   -1.5317    0.0000 O   0  0
  -12.9903   -1.5227    0.0000 C   0  0
  -11.6938   -0.7682    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
  5 22  1  0
 22 23  2  0
 23  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13296

> <plate>
PLATE 004

> <well>
G6

> <supplier_cmpd_name>
Bisdemethoxycurcumin

> <ctcr_id>
12508

> <supplier_cmpd_id>
TL0007

> <smiles>
Oc2ccc(/C=C/C(=O)CC(=O)/C=C/c1ccc(O)cc1)cc2

> <pd_targets>
{GLO1,POL,PTGS2,CAMK2A,ACHE,AKR1B10,AKR1B1,TLR9,CDR1,SSSIM}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,Lyase,Hydrolase,Oxidoreductase,Kinase,"Toll-like and Il-1 receptors","Primary active transporter","Protein Kinase","ATP-binding cassette","CAMK protein kinase g
roup","ABCB subfamily","CAMK protein kinase CAMK2 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Kinases (EC 2.7.x.x)","Acetylcholine turnover","1.-.-.- Oxidoreductases","Catalytic receptors",Cyclooxygenase,"CAMK: Calcium/calmodulin-dependent protein kina
ses","Pattern recognition receptors","CAMK2 family","Toll-like receptor family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Immune System","The citric acid (TCA) cycle and respiratory electron transport","Metabolism of lipids","Transmission across Chemical Synapses","Metabolism of vitamins an
d cofactors","Innate Immune System","Pyruvate metabolism and Citric Acid (TCA) cycle","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal tr
ansmission","Phospholipid metabolism","Metabolism of fat-soluble vitamins","Metabolism of steroids","Toll-like Receptor Cascades","Pyruvate metabolism","Biosynthesis of DPA-derived SPMs","Activation o
f NMDA receptors and postsynaptic events","Glycerophospholipid biosynthesis","Retinoid metabolism and transport","Metabolism of steroid hormones","Toll Like Receptor 7/8 (TLR7/8) Cascade","Biosynthesi
s of DPAn-3 SPMs","Post NMDA receptor activation events","Synthesis of PC","Pregnenolone biosynthesis","MyD88 dependent cascade initiated on endosome","CREB1 phosphorylation through NMDA receptor-medi
ated activation of RAS signaling","TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Bisdemethoxycurcumin,33171-05-0,33171050,Didemethoxycurcumin,"Curcumin III","(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione","(1E,6E)1,7bis(4hydroxyphenyl)hepta1,6diene3,5dione",Bis(4-hydr
oxycinnamoyl)methane,Bis(4hydroxycinnamoyl)methane,24939-16-0,24939160,Bis-demethoxycurcumin,Bis(p-hydroxycinnamoyl)methane,Bis(phydroxycinnamoyl)methane,UNII-2EFO1BP,UNII2EFO1BP,TL0007}

> <pdid>
PD011968

> <targets>
{p300,Wnt/¦Â-catenin}

> <classes>
{Chromatin/Epigenetic,"Cytoskeletal Signaling"}

> <pubchem_cids>
{5315472}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -2.2793    3.0692    0.0000 C   0  0
   -1.0100    2.2700    0.0000 C   0  0
    0.8100    3.2300    0.0000 C   0  0
    1.9800    2.5000    0.0000 C   0  0
    2.5900    1.1000    0.0000 C   0  0
    3.3700    2.4300    0.0000 C   0  0
    3.4289    3.9288    0.0000 C   0  0
    4.6556    1.6573    0.0000 C   0  0
    2.0400   -0.2800    0.0000 C   0  0
    2.0600   -1.9400    0.0000 C   0  0
    0.9600   -2.6000    0.0000 C   0  0
   -0.4600   -2.5700    0.0000 C   0  0
   -1.6200   -1.2200    0.0000 C   0  0
   -1.0800    0.4500    0.0000 C   0  0
    0.5900    0.7600    0.0000 C   0  0
    0.9164    2.2241    0.0000 O   0  0
   -2.3400    1.3000    0.0000 C   0  0
   -3.6600    0.4600    0.0000 C   0  0
   -3.2100   -1.0200    0.0000 C   0  0
   -4.1768   -2.1669    0.0000 O   0  0
   -5.0668    0.9806    0.0000 C   0  0
   -2.3300   -2.5413    0.0000 O   0  0
   -1.1003   -3.9265    0.0000 O   0  0
    1.4174   -4.0371    0.0000 C   0  0
    2.8827   -4.3578    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  4  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  2  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 14 17  1  0
 17 18  2  3
 18 19  1  0
 19 13  1  0
 19 20  1  0
 18 21  1  0
 13 22  1  0
 12 23  1  0
 11 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13297

> <plate>
PLATE 004

> <well>
G7

> <supplier_cmpd_name>
Ingenol

> <ctcr_id>
12936

> <supplier_cmpd_id>
T5S2017

> <smiles>
CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PRKCD,PRKCE}

> <broad_moa>
{"PKC activator"}

> <synonyms>
{ingenol,30220-46-3,30220463,(-)-Ingenol,()Ingenol,SCHEMBL20693649,BCP10094,T5S2017,Ingenol}

> <pdid>
PD011933

> <targets>
{PKC}

> <classes>
{Cytoskeletal Signaling,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{3719}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11  4  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13298

> <plate>
PLATE 004

> <well>
G8

> <supplier_cmpd_name>
4-Hydroxyquinazoline

> <ctcr_id>
13662

> <supplier_cmpd_id>
TMO2713

> <smiles>
C1=CC=C2C(=C1)C(=O)N=CN2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{HYDROXYQUINAZOLIN,4-Hydroxyquinazoline,4Hydroxyquinazoline,491-36-1,491361,Quinazolin-4-ol,Quinazolin4ol,quinazolin-4(3H)-one,quinazolin4(3H)one,4-Quinazolinol,4Quinazolinol,4(3H)-Quinazolinone,4(3H)
Quinazolinone,4-Quinazolinone,4Quinazolinone,4-Quinazolone,4Quinazolone,4(1H)-Quinazolinone,4(1H)Quinazolinone,4-HQN,4HQN,4-Oxoquinazoline,4Oxoquinazoline,"3,4-Dihydroquinazolin-4-one","3,4Dihydroquin
azolin4one",4(3H)-Quinazolone,4(3H)Quinazolone,Quinazolin-,Quinazolin,TMO2713}

> <pdid>

> <targets>
{antiplatelet}

> <classes>
{Others}

> <pubchem_cids>
{135408753}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 19  0  0  1  0            999 V2000
    5.3077   -0.6882    0.0000 N   0  0
    4.0197   -1.4569    0.0000 C   0  0  1  0  0  0
    3.2676   -2.7548    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4947    0.7442    0.0000 O   0  0
   -3.8967    0.7484    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  2  1  0
  4  5  1  6
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13299

> <plate>
PLATE 004

> <well>
G9

> <supplier_cmpd_name>
OG-L002

> <ctcr_id>
7362

> <supplier_cmpd_id>
T6073

> <smiles>
N[C@H]1C[C@@H]1c2ccc(cc2)c3cccc(O)c3

> <pd_targets>
{KDM1A}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Lysine-specific demethylase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{KDM1A}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{GL00,OG-L002,OGL002,1357302-64-7,1357302647,"4'-((1R,2S)-2-aminocyclopropyl)biphenyl-3-ol","4'((1R,2S)2aminocyclopropyl)biphenyl3ol","4'-((1R,2S)-2-aminocyclopropyl)-(1,1'-biphenyl)-3-ol","4'((1R,2S)
2aminocyclopropyl)(1,1'biphenyl)3ol","3-(4-((1R,2S)-2-Aminocyclopropyl)phenyl)phenol","3(4((1R,2S)2Aminocyclopropyl)phenyl)phenol","3-(4-((1R,2S)-2-aminocyclopropyl)phenyl)phenol","3(4((1R,2S)2aminocy
clopropyl)phenyl)phenol",GTPL7023,SCHEMBL683,S7237}

> <pdid>
PD017720

> <targets>
{"Histone demethylases"}

> <classes>
{}

> <pubchem_cids>
{56639570}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
   15.8828    3.3639    0.0000 C   0  0
   14.3846    3.2899    0.0000 N   0  0
   13.6679    4.6075    0.0000 C   0  0
   12.1908    4.8688    0.0000 C   0  0
   11.0656    3.8768    0.0000 C   0  0
   11.1250    2.3707    0.0000 N   0  0
   12.3571    1.5024    0.0000 C   0  0
   13.8013    1.9079    0.0000 C   0  0
    9.8081    1.6509    0.0000 C   0  0
    8.5272    2.4315    0.0000 O   0  0
    9.7720    0.1505    0.0000 C   0  0
   11.0510   -0.6331    0.0000 C   0  0
   11.0119   -2.1326    0.0000 C   0  0
    9.6937   -2.8485    0.0000 C   0  0
    8.4194   -2.0667    0.0000 C   0  0
    8.4538   -0.5653    0.0000 C   0  0
    7.0504   -2.6816    0.0000 C   0  0
    6.7434   -4.1499    0.0000 C   0  0
    5.2521   -4.3116    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.7489   -1.9359    0.0000 O   0  0
    3.1905   -2.6376    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    3.6012    0.0028    0.0000 C   0  0
    2.7149    1.2130    0.0000 C   0  0
    3.3199    2.5856    0.0000 C   0  0
    4.8111    2.7481    0.0000 C   0  0
    5.6973    1.5379    0.0000 C   0  0
    5.0924    0.1653    0.0000 C   0  0
    7.1885    1.7003    0.0000 Cl  0  0
    1.2908    0.7446    0.0000 N   0  0
    1.2965   -0.7554    0.0000 C   0  0
    0.0863   -1.6416    0.0000 O   0  0
   13.6256    0.3340    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 25 31  1  0
 31 32  1  0
 32 23  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13300

> <plate>
PLATE 004

> <well>
G10

> <supplier_cmpd_name>
CX-6258 HCl

> <ctcr_id>
11551

> <supplier_cmpd_id>
T6148

> <smiles>
CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)/C=C/1\c2c(ccc(c2)Cl)NC1=O.Cl

> <pd_targets>
{PIM2,PIM3,FLT3,PIM1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","TK protein kinase group","CAMK protein kinase PIM family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","PIM family","TK: Tyrosine kinase","Receptor tyrosine kinases (R
TKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Insulin receptor","FLT3 signali
ng in disease","Insulin receptor signalling cascade","Signaling by FLT3 ITD and TKD mutants","IRS-mediated signalling","STAT5 activation downstream of FLT3 ITD mutants","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"X6258 HC","CX-6258 HCl","CX6258 HCl",1353859-00-3,1353859003,"CX-6258 Hydrochloride","CX6258 Hydrochloride","CX 6258 hydrochloride",C26H24ClN3O3.ClH,CX6258(HCL),2343AH,s7041,CCG-269675,CCG269675,AC-
32984,AC32984,BS-15346,BS15346,SW219450-1,SW2194501,EC-000.2545,EC000.2545,A14275,J-690143,J690143,T6148}

> <pdid>
PD012443

> <targets>
{Pim1,Pim2,Pim3}

> <classes>
{Chromatin/Epigenetic,"JAK/STAT signaling"}

> <pubchem_cids>
{72201040}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    8.4155   -8.4596    0.0000 C   0  0
    7.4154   -7.3416    0.0000 C   0  0
    7.8830   -5.9155    0.0000 S   0  0
    9.3511   -5.6080    0.0000 O   0  0
    8.8836   -7.0330    0.0000 O   0  0
    6.8824   -4.7969    0.0000 N   0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.4141   -3.9859    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0184    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 N   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7600   -9.1707    0.0000 C   0  0
   -3.2297   -8.8665    0.0000 O   0  0
   -4.2281   -9.9860    0.0000 C   0  0
   -1.2918  -10.5957    0.0000 C   0  0
    0.1764  -10.9028    0.0000 C   0  0
    0.6446  -12.3278    0.0000 C   0  0
    1.1765   -9.7848    0.0000 N   0  0
    0.7083   -8.3597    0.0000 C   0  0
    1.7083   -7.2418    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 26  1  0
 34 35  2  0
 21 36  2  0
 36 14  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13301

> <plate>
PLATE 004

> <well>
G11

> <supplier_cmpd_name>
CPI-169

> <ctcr_id>
12551

> <supplier_cmpd_id>
T6809

> <smiles>
CCS(=O)(=O)N1CCC(CC1)C(C)n1c2ccccc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C

> <pd_targets>
{EZH2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{PI16,"CPI-169 racemate","CPI169 racemate",CPI-169,CPI169,1450655-76-1,1450655761,"CPI-169 (racemate)","CPI169 (racemate)",CHEMBL4576375,SCHEMBL16381397,SCHEMBL18936786,SCHEMBL19554389,"CPI 169",CHEBI
:124923,BCP12650,NSC782310,CS-3137,CS3137,NSC-782310,HY-15956,HY15956,FT-0700206,FT0700206,Q27215235,T6809}

> <pdid>
PD012481

> <targets>
{EZH1,"EZH2 WT","EZH2 Y641N"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{78357814}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0072    7.5009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -2.6051    5.9945    0.0000 N   0  0
   -3.9026    5.2401    0.0000 S   0  0
   -5.2044    5.9854    0.0000 O   0  0
   -3.8976    3.7401    0.0000 O   0  0
   -5.1990    4.4856    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16  7  1  0
 16 11  1  0
  9 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 22 28  2  0
 28 17  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13302

> <plate>
PLATE 004

> <well>
H2

> <supplier_cmpd_name>
Bromosporine

> <ctcr_id>
6178

> <supplier_cmpd_id>
T6255

> <smiles>
CCOC(=O)Nc1cc(nn2c(C)nnc12)c3ccc(C)c(NS(=O)(=O)C)c3

> <pd_targets>
{BRD9,CECR2,BRD4,BRD7,ATAD2}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","3.6.1.3 ATPases","
Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al Regulation by TP53","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Regulation of TP53 Activity","TFAP2 (AP-2) family regulates transcription of growth factors and
 their receptors","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{Bromosporine,1619994-69-2,1619994692,CHEMBL3133807,Bioomosporine,Bromorsporine,GTPL8234,SCHEMBL17359131,C17H20N6O4S,AOB6807,"Bromosporine, >=98 (HPLC)",HMS3653C21,2286AH,BDBM50504160,MFCD26142669,NSC
768126,s7233,ZINC95616589,AKOS024458332,CCG-268692,CCG268692,CS-,CS,T6255,S7233}

> <pdid>
PD000022

> <targets>
{Epigenetic Reader Domain}

> <classes>
{Epigenetics}

> <pubchem_cids>
{72943187}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5923   -4.5039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 N   0  0
   -5.1253   -4.3743    0.0000 C   0  0
   -6.5925   -4.6865    0.0000 C   0  0
   -7.0558   -6.1132    0.0000 C   0  0
   -6.0519   -7.2277    0.0000 C   0  0
   -6.5125   -8.6561    0.0000 C   0  0
   -5.5065   -9.7699    0.0000 N   0  0
   -5.9647  -11.1982    0.0000 C   0  0
   -4.9570  -12.3093    0.0000 C   0  0
   -3.4909  -11.9921    0.0000 C   0  0
   -3.0326  -10.5638    0.0000 C   0  0
   -4.0403   -9.4527    0.0000 C   0  0
   -4.5847   -6.9156    0.0000 C   0  0
   -4.1214   -5.4890    0.0000 C   0  0
   -2.1880   -3.7544    0.0000 C   0  0
   -2.6517   -5.1810    0.0000 C   0  0
   -1.6482   -6.2959    0.0000 C   0  0
   -0.1809   -5.9844    0.0000 C   0  0
    0.2829   -4.5579    0.0000 C   0  0
   -0.7206   -3.4429    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 20 28  1  0
 28 29  2  0
 29 17  1  0
 15 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 14 36  1  0
 36 10  1  0
 36 37  2  0
 37  7  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13303

> <plate>
PLATE 004

> <well>
H3

> <supplier_cmpd_name>
Hesperadin

> <ctcr_id>
7147

> <supplier_cmpd_id>
T6532

> <smiles>
CC[S](=O)(=O)Nc1ccc2NC(=O)\C(=C(Nc3ccc(CN4CCCCC4)cc3)\c5ccccc5)c2c1

> <pd_targets>
{AURKB-A,PAK2,FES,SLC2A1,BRSK2,LMGT2,AURKB,RPS6KA4,AURKA,RPS6KA5,TYK2,HT1,PRKAA1,PTK2B,LTK,ROS1,PTK2,MELK}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Electrochemical transporter","Protein Kinase","SLC superfamily of solute carriers","STE protein kinase group","TK protein kinase group","SLC02 family of hexose and sugar al
cohol transporters","CAMK protein kinase group","Other protein kinase group","AGC protein kinase group","STE protein kinase STE20 family","Tyrosine protein kinase Fer family","CAMK protein kinase CAMK
1 family","Other protein kinase AUR family","AGC protein kinase RSK family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Alk family","Tyrosine pr
otein kinase Sev family","STE protein kinase PAKA subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase MSK subfamily","CAMK protein kinase AMPK subfamily","CAMK protein kinase MELK subf
amily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors","SLC superfamily of solute carriers","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases
","SLC2 family of hexose and sugar alcohol transporters","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","STE20 family","TK: Tyrosine kinase","Class I tra
nsporters","CAMK-like (CAMKL) family","Other protein kinases","RSK family","PAKA subfamily","Non-receptor tyrosine kinases (nRTKs)","BRSK subfamily","Aurora kinase (Aur) family","MSK subfamily","AMPK 
subfamily","Receptor tyrosine kinases (RTKs)","MELK subfamily","Fer family","Janus kinase (JakA) family","Fak family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XVII RTKs: 
ROS receptors"}

> <pathway_reactome>
{Disease,"Developmental Biology","Cell Cycle","Gene expression (Transcription)","Immune System","Infectious disease","Nervous system development","Disorders of transmembrane transporters",Mitotic,"RNA
 Polymerase II Transcription","Innate Immune System","Cytokine Signaling in Immune system","HIV Infection","Axon guidance","SLC transporter disorders","M Phase","Generic Transcription Pathway","Toll-l
ike Receptor Cascades","Interferon Signaling","Signaling by Interleukins","Leishmania infection","Host Interactions of HIV factors","Semaphorin interactions","Defective SLC2A1 causes GLUT1 deficiency 
syndrome 1 (GLUT1DS1)","Mitotic Metaphase and Anaphase","L1CAM interactions","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) Cascade","Interferon alpha/beta signaling","Interleukin-2
 family signaling","Parasite infection","The role of Nef in HIV-1 replication and disease pathogenesis","CRMPs in Sema3A signaling","Mitotic Anaphase","Recycling pathway of L1","Regulation of TP53 Act
ivity","MyD88 cascade initiated on plasma membrane","Regulation of IFNA signaling","Interleukin-2 signaling","Leishmania phagocytosis","Nef and signal transduction","Separation of Sister Chromatids","
Regulation of TP53 Activity through Phosphorylation","MAP kinase activation","FCGR3A-mediated phagocytosis","MAPK targets/ Nuclear events mediated by MAP kinases","CREB phosphorylation"}

> <broad_targets>
{AURKB}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{Hesperadin,S1529}

> <pdid>
PD010990

> <targets>
{Aurora,"Aurora Kinase"}

> <classes>
{}

> <pubchem_cids>
{10142586}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  4  1  0
 14  9  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13304

> <plate>
PLATE 004

> <well>
H4

> <supplier_cmpd_name>
IOX1

> <ctcr_id>
13492

> <supplier_cmpd_id>
T6545

> <smiles>
OC(=O)c1ccc(O)c2ncccc12

> <pd_targets>
{EGLN1,KDM3A,KDM6B,KDM4E,KDM4A,FTO,KDM5C,KDM4C,KDM2A,L3MBTL1,A085R}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Oxidoreductase,Eraser,Reader,"Lysine demethylase","Methyl-lysine/arginine binding protein","Jumonji domain-containing","MBT domain"}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Signal Transduction","DNA Repair","Chromatin organization","Gene expression (Transcription)","Cellular responses to stress","Signaling by Nuclear Receptors",
"DNA Double-Strand Break Repair","DNA Damage Reversal","Chromatin modifying enzymes","Signaling by Rho GTPases","RNA Polymerase II Transcription","Cellular response to hypoxia","NR1H2 and NR1H3-mediat
ed signaling","Cellular Senescence","DNA Double Strand Break Response","Reversal of alkylation damage by DNA dioxygenases","HDMs demethylate histones","RHO GTPase Effectors","Generic Transcription Pat
hway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","NR1H3 & NR1H2 regulate gene expression linked to cholesterol transport and efflux","Oxidative Stress Induced Senescenc
e","Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks","RHO GTPases activate PKNs","Transcriptional Regulation by TP53","Activated PKN1 stimulat
es transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Regulation of TP53 Activity","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{EGLN1,KDM3A,KDM4C,KDM6B}

> <broad_moa>
{"histone demethylase inhibitor"}

> <synonyms>
{IOX1,5852-78-8,5852788,"8-Hydroxyquinoline-5-Carboxylic Acid","8Hydroxyquinoline5Carboxylic Acid","8-Hydroxy-5-quinolinecarboxylic acid","8Hydroxy5quinolinecarboxylic acid",5-Carboxy-8-hydroxyquinoli
ne,5Carboxy8hydroxyquinoline,"IOX 1",IOX-1,UNII-JM015YQC1C,UNIIJM015YQC1C,5-carboxy-8HQ,5carboxy8HQ,"5-Quinolinecarboxylic acid, 8-hydroxy-","5Quinolinecarboxylic acid, 8hydroxy",JM015YQC1C,CHEMBL1230
640,"IOX1 compound",4b,T6545}

> <pdid>
PD000007

> <targets>
{2OG oxygenases,including the JmjC demethylases,KDM4A/KDM3A,Histone Demethylase}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{459617}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 N   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1873    7.5117    0.0000 C   0  0
   -6.4848    8.2644    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 22  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32  8  1  0
 32 19  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13305

> <plate>
PLATE 004

> <well>
H5

> <supplier_cmpd_name>
Mitoxantrone

> <ctcr_id>
6514

> <supplier_cmpd_id>
T6588

> <smiles>
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12

> <pd_targets>
{NFKB1,STK33,ALOX15,UBA3,USP2,CSNK2A1,CSNK2A2,CSNK2A3,CSNK2B,MAPT,ROS1,MAPK1,BLM,NPSR1,MPG,KMT2A,MEN1,KDM4E,L3MBTL1,ALD,TP53,LMNA,RECQL,FTL,POLB,DYRK1A,PIM1,APEX1,RORC,PMP22,NFO,ALDH1A1,TOP2A,CHRM1,SL
CO1B3,BTK,CYP2D6,HIF1A,PKM,CYP1A2,POL,LANA1,THPO,IMPA1,BLA(TEM-2),NSD2,HTT,CYP3A4,PYK,SLC22A1,ABCB1,PAX8,ERBB2,HTR2C,CHRM2,ABCC1,MTOR,KCNH2,CHRM4,SLC22A2,NAE1,FYN,SLC47A2,SLC6A2,SLC47A1,CACNA1C,CACNA1
D,CACNA1F,CACNA1S,ABCG2,EGFR,SLC22A3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Other nuclear protein","Unclassified protein",Transporter,"Ion channel",Kinase,Oxidoreductase,Ligas
e,Protease,"Family A G protein-coupled receptor",Reader,Eraser,"Nuclear receptor",Hydrolase,Isomerase,"Electrochemical transporter","Cytochrome P450",Writer,Transferase,"Primary active transporter","V
oltage-gated ion channel","Protein Kinase","Cysteine protease","Peptide receptor (family A GPCR)",Bromodomain,"Lysine demethylase","Methyl-lysine/arginine binding protein","Nuclear hormone receptor su
bfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 2","Cytochrome P450 family 1","Protein methyltransferase","Cytochrome P450 family 3","
ATP-binding cassette","Potassium channels","Voltage-gated calcium channel","CAMK protein kinase group","Cysteine protease CA clan","Other protein kinase group","TK protein kinase group","CMGC protein 
kinase group","Short peptide receptor (family A GPCR)","Jumonji domain-containing","MBT domain","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","SLC21/SLCO family of organic anion 
transporting polypeptides","Cytochrome P450 family 2D","Cytochrome P450 family 1A","SET domain","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","ABCB subfamily","AB
CC subfamily","Atypical protein kinase group","Voltage-gated potassium channel","SLC47 family of multidrug and toxin extrusion transporters","SLC06 neurotransmitter transporter family","ABCG subfamily
","CAMK protein kinase unique family","Cysteine protease C19 family","Other protein kinase CK2 family","Tyrosine protein kinase Sev family","CMGC protein kinase MAPK family","Neuropeptide receptor","C
MGC protein kinase DYRK family","CAMK protein kinase PIM family","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Tyrosine protein kinase Tec family","Cytochrome P450 
2D6","Cytochrome P450 1A1","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","Serotonin receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","CMGC protein kin
ase ERK1","CMGC protein kinase Dyrk1 subfamily","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Peptidases and proteinases","Catalytic receptors","G protein-coupled receptors","Chromatin modifying enzyme
s","Nuclear hormone receptors","DNA topoisomerases","SLC superfamily of solute carriers","Cytochrome P450","2.7.1.40 Pyruvate kinases","Inositol phosphate turnover","ATP-binding cassette transporter f
amily","Voltage-gated ion channels","CAMK: Calcium/calmodulin-dependent protein kinases",Lipoxygenases,"CA: Cysteine (C) Peptidases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"Neuropeptide S receptor","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","Acetylcholine receptors (muscarinic)","SLCO family of organ
ic anion transporting polypeptides","CYP2 family: drug metabolising subset","CYP1 family","Inositol monophosphatase","CYP3 family","SLC22 family of organic cation and anion transporters","ABCB subfami
ly","5-Hydroxytryptamine receptors","ABCC subfamily",Atypical,"Potassium channels","SLC47 family of multidrug and toxin extrusion transporters","SLC6 neurotransmitter transporter family","ABCG subfami
ly","CAMK-unique family","C19: Ubiquitin-specific protease","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYR
K) family","PIM family","Organic cation transporters (OCT)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","Monoamine transporter subfamily","Recept
or tyrosine kinases (RTKs)","ERK subfamily","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","FRAP subfamily","Type XVII RTKs: ROS receptors","Tec family","Type I RTKs: ErbB (epidermal growth
 factor) receptor family","Src family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Gene expression (Transcription)","Neuronal System","DNA Repair",Disease,"Cell Cycle","Vesicle-mediated transport","Developmental Biology","Signal Transduction","Cellular r
esponses to external stimuli",Hemostasis,"Transport of small molecules","Muscle contraction","Cytokine Signaling in Immune system","Metabolism of lipids","Innate Immune System","RNA Polymerase II Tran
scription","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Infectious disease","Base Excision Repair","Cell Cycle Checkpoints",Mitotic,"Membrane Trafficking","Diseases of sig
nal transduction by growth factor receptors and second messengers","Nervous system development","Biological oxidations","Signaling by GPCR","Cellular responses to stress","Metabolism of carbohydrates"
,"Platelet activation","signaling and aggregation","Inositol phosphate metabolism","SLC-mediated transmembrane transport","Abacavir transport and metabolism","Cardiac conduction","Disorders of transme
mbrane transporters","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","C-type lectin receptors (CLRs)","Generic Transcription Pathway","Neurotransmitter receptor
s and postsynaptic signal transmission","Toll-like Receptor Cascades","Homology Directed Repair","Leishmania infection","Base-Excision Repair","AP Site Formation","G1/S DNA Damage Checkpoints","M Phas
e","trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Mitotic G1 phase and G1/S transition","FLT3 signaling in disease","EGR2 and SOX10-mediated initiation of Schwann cell 
myelination","Phase I - Functionalization of compounds","GPCR ligand binding","Metabolism of steroids","Cellular response to hypoxia","Glucose metabolism","Platelet Aggregation (Plug Formation)","Synt
hesis of IP2",IP,"and Ins in the cytosol","Transport of bile salts and organic acids","metal ions and amine compounds","Abacavir transmembrane transport","Axon guidance","Fatty acid metabolism","Phase
 3 - rapid repolarisation","HIV Infection","SLC transporter disorders","GPCR downstream signalling","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","CLEC7A (Dectin-1) signaling","T
ranscriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (
SSA)","Leishmania parasite growth and survival",Depurination,"p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Resolution of AP sites v
ia the multiple-nucleotide patch replacement pathway","G0 and Early G1","Signaling by FLT3 ITD and TKD mutants","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX3","Ethanol oxi
dation","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Parasite infection","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypox
ia-inducible Factor Alpha",Glycolysis,"Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Semaphorin interactions","Arachidonic acid m
etabolism","Host Interactions of HIV factors","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (q) signalling events","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","Dectin-1 m
ediated noncanonical NF-kB signaling","Regulation of TP53 Activity","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","An
ti-inflammatory response favouring Leishmania parasite infection","Cleavage of the damaged purine","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Re
pair","STAT5 activation downstream of FLT3 ITD mutants","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","RUNX3 Regulates Immune Response and Cell Migration","Tr
anscription of E2F targets under negative control by DREAM complex","Amine ligand-binding receptors","Recycling of bile acids and salts","Leishmania phagocytosis",Xenobiotics,"Processing of DNA double
-strand break ends","Regulation of MECP2 expression and activity","Biosynthesis of maresins","Organic cation transport","Sema4D in semaphorin signaling","Synthesis of Leukotrienes (LT) and Eoxins (EX)
","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via PKC and MAPK","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protec
tins and resolvins","Regulation of TP53 Expression and Degradation","Activation of AMPK downstream of NMDARs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated ant
i-inflammatory cytokines production","Regulation of TP53 Activity through Methylation","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","FCGR3A-mediated p
hagocytosis","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Sema4D induced cell migration and growth-cone collapse","Seroton
in receptors","Nef and signal transduction","EGFR Transactivation by Gastrin","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous D
NA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{mitoxantrone,65271-80-9,65271809,Mitoxanthrone,Mitozantrone,DHAQ,Dihydroxyanthraquinone,Mitoxantron,Novantrone,Mitoxantrona,Mitoxantronum,"NSC 279836",UNII-BZ114NVM5P,UNIIBZ114NVM5P,DHAD,NSC279836,NS
C-279836,"Mitoxantrone free base",1,4-Bis(2-(2-hydroxyethylamino)e,4Bis(2(2hydroxyethylamino)e,T6588,279836,Mitoxantrone}

> <pdid>
PD004112

> <targets>
{}

> <classes>
{"Topoisomerase Inhibitor"}

> <pubchem_cids>
{4212}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    6.0921   -5.7983    0.0000 N   0  0
    6.7064   -4.4299    0.0000 C   0  0
    7.3211   -3.0607    0.0000 C   0  0
    6.4434   -1.8433    0.0000 C   0  0  1  0  0  0
    7.0565   -0.4733    0.0000 C   0  0
    6.3038    0.8093    0.0000 C   0  0
    7.3128    1.9192    0.0000 C   0  0
    8.6802    1.3025    0.0000 C   0  0
    8.5162   -0.1885    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13306

> <plate>
PLATE 004

> <well>
H6

> <supplier_cmpd_name>
S-Ruxolitinib

> <ctcr_id>
7410

> <supplier_cmpd_id>
T6156

> <smiles>
N#CC[C@@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{IKBKE,ABL1,JAK2,RET,MAP4K4,LCK,GRK5,GSK3A,AURKB,JAK3,DYRK1B,FGFR1,CSNK1A1,CDK8,NTRK2,ALK,PRKAA1,DYRK1A,TAOK1,DAPK3,CLK2,LTK,PTK2,ROCK1,FYN,LRRK2,TNK2,PAK4,GSK3B,PRKACA,CAMK1D,CAMK2A,NTRK3,AURKA,PRKD3
,CLK4,MAP3K2,IKBKB,GRK7,CAMK2G,KIT,DCLK2,RPS6KA6,MKNK2,JAK1,PRKCE,VRK2,PLK4,PAK5,MAP3K19,TYK2,BMPR1B,CDK7,NEK7,MAP2K4,TTK,BRAF,ROCK2,BMPR2,STK26,RIPK4,RIOK1,BMP2K,MAP4K2,HDAC6,PI4KB,MAP2K1,CASK,CAMK2D
,SBK1,DCLK3,ANKK1,NTRK1,ULK3,CSNK2A1,PKNB,GAK,SRPK3,ULK2,MAST1,TAOK2,MARK2,TAOK3,RIOK3,PLK3,EPHB6,DCLK1,OXSR1,MAPK8,GRK1,CAMK1,STK17B,DMPK,CAMK2B,ERN1,CSNK2A2,NEK3,HIPK1,RIOK2,PAK6,AURKC,MAP3K15,RPS6K
A2,IRAK1,MAP2K3,ULK1,PLK1,EPHA3,NR1H2,HIPK3,MAP3K1,PHKG1,STK25,DAPK2,AAK1,CAMK1G,HIPK2,NUAK2,SIK3,PHKG2,MAP3K3,GRK4,PRKG2,PLK2,STK39,TBK1,MELK,MAP2K2,RPS6KA1,SRPK1,DYRK2,STK17A,RPS6KA5,DAPK1,STK16,RPS
6KA4,MYLK,MAP3K7,SBK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","CK1 protein kinase group","TKL
 protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","Ty
rosine protein kinase Src family","AGC protein kinase GRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase DYRK family","Tyrosine protein kinase FGFR fam
ily","CK1 protein kinase CK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Trk family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fak family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","Tyrosine protein 
kinase Ack family","AGC protein kinase PKA family","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","STE protein kinase MSN subfamily","AGC protein kinase GRK subfamily","CMGC prote
in kinase Dyrk1 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","AGC protein kinase R
OCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKB subfamily","Epigenetic regulator","Unclassified protein","Transcription factor",Eraser,Transferase,"Nuclear receptor","Histone de
acetylase","Nuclear hormone receptor subfamily 1","Atypical protein kinase group","HDAC class IIb","Nuclear hormone receptor subfamily 1 group H","STE protein kinase STE11 family","Other protein kinas
e IKK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase DCAMK1 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein kinase PKC family","Other pro
tein kinase PLK family","Other protein kinase NEK family","STE protein kinase STE7 family","Other protein kinase TTK family","TKL protein kinase RAF family","TKL protein kinase RIPK family","Atypical 
protein kinase RIO family","Other protein kinase NAK family","Other protein kinase NKF1 family","Other protein kinase ULK family","Other protein kinase CK2 family","CMGC protein kinase SRPK family","A
GC protein kinase MAST family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group H member 3","CAMK pro
tein kinase PHk family","AGC protein kinase PKG family","CAMK protein kinase MLCK family","TKL protein kinase MLK family","STE protein kinase MEKK2","AGC protein kinase RSK subfamily","CAMK protein ki
nase MNK subfamily","AGC protein kinase PKC eta subfamily","CMGC protein kinase CDK7 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase YSK subfamily","Atypical protein kinase R
IO1 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MARK subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase FRAY subfamily","CMGC protein kinase JNK subfamily",
"AGC protein kinase GEK subfamily","Other protein kinase Nek1","CMGC protein kinase HIPK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase ASK","CAMK protein kinase NuaK subfamil
y","CAMK protein kinase QIK subfamily","Other protein kinase PLK2","CAMK protein kinase MELK subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase MSK subfamily","TKL protein kinase TAK
1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","TK: Tyrosine kinase","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Cyclin-dependent kinase (CD
K) family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","CAMK1 family","CAMK2 family","Prot
ein kinase D (PKD) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","MSN subfamily","GRK4 subfamily","GSK subfamily","Aurora kinase (Aur) family","Dyrk1 
subfamily","CDK8 subfamily","AMPK subfamily","TAO subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","PAKB subfamily","Abl family","Janus kinase (JakA) family","Type XIV RTKs: RET","Sr
c family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family",
"Ack family","Chromatin modifying enzymes","Nuclear hormone receptors",Atypical,"3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases","1H. Liver X receptor-like receptors","STE11 family","D
CAMKL family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Protein kinase C (PKC) family","Vaccina related kinase (VRK) family","STE7 family","RIO family","1-phosphatidylinositol 4-k
inase family","CASK family","SRPK family","MAST family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","Protein kinase G (PKG) family","Myosin Light Chain Kinase
 (MLCK) family","Opsin/rhodopsin kinases","RSK subfamily","MKN subfamily","Eta subfamily","Polo-like kinase (PLK) family","STE20 subfamily","Receptor serine/threonine kinase (RSTK) family","CDK7 subfa
mily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TTK family","RAF family","YSK subfamily","Receptor interacting protein kinase (RIPK) family","RIO1 subfamily","Numb-associated kina
se (NAK) family","KHS subfamily","NKF1 family","Unc-51-like kinase (ULK) family","Casein kinase 2 (CK2) family","MARK subfamily","RIO3 subfamily","FRAY subfamily","JNK subfamily","GEK subfamily","IRE 
family","HIPK subfamily","RIO2 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","NAK family","NuaK subfamily","QIK subfamily","MELK subfamily","Dyrk2 subfamily","MSK subfamily","Mix
ed Lineage Kinase (MLK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XIII RTKs: Ephrin re
ceptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Cell Cycle","Developmental Biology","Cellular responses to external stimuli","Signal Transduction","Gene expression (Transcription)","Programmed Cell Death","Neuronal System"
,Metabolism,"Innate Immune System","Infectious disease",Mitotic,"Nervous system development","Cellular responses to stress","Signaling by GPCR","Cytokine Signaling in Immune system","Diseases of signa
l transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Tran
smission across Chemical Synapses","Metabolism of lipids","Toll-like Receptor Cascades","Leishmania infection","Mitotic G1 phase and G1/S transition","Axon guidance","Cellular Senescence","HIV Infecti
on","GPCR downstream signalling","SARS-CoV Infections","M Phase","Signaling by Interleukins","Signaling by FGFR in disease","Signaling by WNT in cancer","Signaling by NOTCH1 in Cancer","Signaling by N
TRKs","Generic Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by PTK6","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal t
ransmission","Sphingolipid metabolism","Toll Like Receptor 4 (TLR4) Cascade","Parasite infection","G1 Phase","RET signaling","Oxidative Stress Induced Senescence","Host Interactions of HIV factors","G
 alpha (q) signalling events","SARS-CoV-1 Infection","Mitotic Metaphase and Anaphase","Interleukin-2 family signaling","Signaling by FGFR1 in disease","Signaling by AMER1 mutants","Signaling by NOTCH1
 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","G0 and Early G1","Caspase activation via Dependence Receptors in the absence of ligand","Semaphorin
 interactions","PTK6 promotes HIF1A stabilization","Signaling by ROBO receptors","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK3 (TRKC)","Sphingolipid de n
ovo biosynthesis","MyD88-independent TLR4 cascade","Leishmania phagocytosis","Cyclin D associated events in G1","The role of Nef in HIV-1 replication and disease pathogenesis","SARS-CoV-1 Genome Repli
cation and Transcription","Mitotic Anaphase","Interleukin-15 signaling","FGFR1 mutant receptor activation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 
HD+PEST Domain Mutants","Activation of TRKA receptors","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Activation of RAC1","Centrosome maturation","Post NMDA receptor activation events
","Activated NTRK3 signals through PI3K","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","Regulation of TP53 Activity through 
Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosom
es","Ras activation upon Ca2+ influx through NMDA receptor","Metabolism of RNA","Vesicle-mediated transport","Muscle contraction","Metabolism of proteins",Autophagy,"Signaling by TGFB family members",
"rRNA processing","Signaling by Hedgehog","Membrane Trafficking","Cardiac conduction","Unfolded Protein Response (UPR)",Macroautophagy,"Post-translational protein modification","Metabolism of carbohyd
rates","MAPK family signaling cascades","Signaling by Rho GTPases","Signaling by KIT in disease","Interferon Signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by BMP","Apoptotic e
xecution phase","rRNA processing in the nucleus and cytosol","Phospholipid metabolism","Hedgehog 'on' state","trans-Golgi Network Vesicle Budding","Ion homeostasis","IRE1alpha activates chaperones","S
elective autophagy",SUMOylation,"Glycogen metabolism","Clathrin-mediated endocytosis","MAPK1/MAPK3 signaling","RHO GTPase Effectors","G alpha (i) signalling events","Drug resistance of KIT mutants","A
ntiviral mechanism by IFN-stimulated genes","Role of phospholipids in phagocytosis","Interferon alpha/beta signaling","HIV Life Cycle","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Cascade","Apoptot
ic cleavage of cellular proteins","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional regulation by RUNX2","PI Metabolism","Golgi Associated Vesicle Biogenesis","EPH-Ephri
n signaling",Mitophagy,"SUMO E3 ligases SUMOylate target proteins","Toll Like Receptor 2 (TLR2) Cascade","Glycogen breakdown (glycogenolysis)","Cargo recognition for clathrin-mediated endocytosis","In
terleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survival","L1CAM interactions","RHO GTPases activate PAKs","Visual phototransduction","Dasatinib-resistant KIT mu
tants","ISG15 antiviral mechanism","Regulation of IFNA signaling","Late Phase of HIV Life Cycle","Nuclear Envelope Breakdown","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","RUNX2 r
egulates bone development","Synthesis of PIPs at the Golgi membrane","Assembly and cell surface presentation of NMDA receptors","EPHB-mediated forward signaling","Receptor Mediated Mitophagy","EPHA-me
diated growth cone collapse","SUMOylation of intracellular receptors","Toll Like Receptor TLR6:TLR2 Cascade","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Leishmania
 parasite infection","Recycling pathway of L1","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","Transcription of the HIV genome","Activation of NIMA Kinases NEK9",NEK6,NEK7,"MAP kin
ase activation","Prolonged ERK activation events","RUNX2 regulates osteoblast differentiation","Activation of RAC1 downstream of NMDARs","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CD163 
mediating an anti-inflammatory response","IKK complex recruitment mediated by RIP1",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Initiation of Nuclear Enve
lope (NE) Reformation","HIV Transcription Elongation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Frs2-mediated activation","MAPK
 targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Tat-mediated elongation of the HIV-1 tra
nscript","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{"RUXOLITINIB (INCB018424",S-Ruxolitinib,SRuxolitinib,941685-37-6,941685376,"S-Ruxolitinib (INCB018424)","SRuxolitinib (INCB018424)","Ruxolitinib (S enantiomer)",(R)-ruxolitinib,(R)ruxolitinib,"Ruxoli
tinib S enantiomer","INCB 18424",ruxolitinib-(S),ruxolitinib(S),PubChem19323,SCHEMBL99225,CHEMBL1287854,DTXSID30678918,BCP15524,EX-A40,EXA40,S2902}

> <pdid>
PD003235

> <targets>
{JAK1,JAK2,JAK}

> <classes>
{}

> <pubchem_cids>
{50878566}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 24  0  0  1  0            999 V2000
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0  2  0  0  0
    2.5909   -6.0056    0.0000 C   0  0
    5.1887   -6.0105    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1851   -3.0091    0.0000 C   0  0
   -7.7988    1.4819    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    7.6943   -1.5051    0.0000 Cl  0  0
  1  2  2  0
  1  3  1  0
  3  4  1  1
  3  5  1  0
  1  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
 17 22  1  0
 10 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13307

> <plate>
PLATE 004

> <well>
H7

> <supplier_cmpd_name>
SGC2085 HCl

> <ctcr_id>
12576

> <supplier_cmpd_id>
T4013

> <smiles>
C(=O)([C@H](C)N)NCc1cc(c(cc1)Oc1cc(cc(c1)C)C)C.Cl

> <pd_targets>
{CARM1,PRMT6}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","TP53 Regulates Transcri
ption of Cell Cycle Genes","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1821908-49-9,1821908499,"SGC2085 HCl",CHEMBL4436627,"1821908-49-9 (HCl)","1821908499 (HCl)",SGC2085.hcl,BCP28941,EX-A4852,EXA4852,BDBM50532859,"SGC-2085; SGC 2085;SGC2085 HCl","SGC2085; SGC 2085;SGC2
085 HCl",T4013}

> <pdid>
PD048245

> <targets>
{"Coactivator Associated Arginine Methyltransferase 1 (CARM1)"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{124081151}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    5.1933   -1.5062    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    6.4919   -3.7562    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.1996    1.4928    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13308

> <plate>
PLATE 004

> <well>
H8

> <supplier_cmpd_name>
AR-42

> <ctcr_id>
5408

> <supplier_cmpd_id>
T6392

> <smiles>
CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2

> <pd_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{HDAC1}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{R4,HDAC-42,HDAC42,CHEMBL191091,"HDAC-42; OSU-HDAC42","HDAC42; OSUHDAC42",N-hydroxy-4-((3-methyl-2-phenylbutanoyl)amino)benzamide,Nhydroxy4((3methyl2phenylbutanoyl)amino)benzamide,N-Hydroxy-4-(3-methy
l-2-phenyl-butyrylamino)-benzamide,NHydroxy4(3methyl2phenylbutyrylamino)benzamide,SCHEMBL675409,HMS3655B16,BDBM50475233,NSC-D-731438,NSCD731438,AKOS032947295,NSC-731438,NSC731438,AK-88132,AK88132,FT-0
689751,FT0689751,T6392,S2244,AR-42,"AR-42 (HDAC-42)"}

> <pdid>
PD038804

> <targets>
{HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{6918801}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    2.5617   -2.9798    0.0000 O   0  0
    1.2626   -2.2300    0.0000 C   0  0
   -0.0361   -2.9805    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.7988    1.4819    0.0000 Cl  0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 F   0  0
    2.5629    0.0216    0.0000 C   0  0
    3.8632   -0.7278    0.0000 C   0  0
    5.1516    0.0428    0.0000 C   0  0
    6.4623   -0.6867    0.0000 C   0  0
    6.4859   -2.1865    0.0000 C   0  0
    5.1988   -2.9568    0.0000 C   0  0
    5.2193   -4.4575    0.0000 N   0  0
    3.9304   -5.2265    0.0000 C   0  0
    3.8107   -6.7089    0.0000 S   0  0
    2.3474   -7.0387    0.0000 C   0  0
    1.5816   -5.7490    0.0000 C   0  0
    2.5715   -4.6220    0.0000 N   0  0
    3.8881   -2.2274    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
 17 18  1  0
  4 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
 24 31  2  0
 31 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13309

> <plate>
PLATE 004

> <well>
H9

> <supplier_cmpd_name>
MK-5108

> <ctcr_id>
1373

> <supplier_cmpd_id>
T6068

> <smiles>
OC(=O)C1(CCC(CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3

> <pd_targets>
{AURKA,AURKC,AURKB,INCENP}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids"}

> <broad_targets>
{AURKA,AURKB,AURKC}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{"K5108 (VX689",MK-5108,MK5108,1010085-13-8,1010085138,VX-689,VX689,"MK 5108","MK-5108 (VX-689)","MK5108 (VX689)",UNII-H8J407531S,UNIIH8J407531S,CHEMBL3600873,H8J407531S,"VX 689",MK-5198,MK5198,C22H21
ClFN3O3S,cc-619,cc619,MLS006011047,GTPL8061,SCHEMBL1501371,SCHEMBL1501374,CHEMBL3182444,EX-A093,EXA093,CHEBI:125340,T6068,S2770}

> <pdid>
PD003211

> <targets>
{"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{24748204}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -2.6016    7.4994    0.0000 O   0  0
   -1.3018    8.2481    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 N   0  0
   -9.0919   -0.7681    0.0000 C   0  0
   -9.0971    0.7319    0.0000 N   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8059    2.9863    0.0000 O   0  0
  -10.3890   -1.5230    0.0000 C   0  0
  -10.3863   -3.0231    0.0000 N   0  0
  -11.6839   -3.7755    0.0000 N   0  0
  -12.9844   -3.0279    0.0000 C   0  0
  -12.9872   -1.5279    0.0000 C   0  0
  -11.6896   -0.7755    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  2  0
 24 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13310

> <plate>
PLATE 004

> <well>
H10

> <supplier_cmpd_name>
MK-8617

> <ctcr_id>
11820

> <supplier_cmpd_id>
T4106

> <smiles>
COc1ccc(cc1)C(c1ccc(cc1)OC)NC(=O)c1cnc([nH]c1=O)c1nnccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{K861,MK-8617,MK8617,1187990-87-9,1187990879,UNII-39RRC0G27V,UNII39RRC0G27V,39RRC0G27V,"MK 8617",SCHEMBL3407165,BCP25371,EX-A1986,EXA1986,s8443,AKOS032960451,ZINC143933089,ACN-041446,ACN041446,CCG-269
164,CCG269164,AK670649,DA-14841,DA14841,DS-19919,DS19919,HY-101023,HY101023,CS-0020731,CS0020731,FT-0710163,FT0710163,T4106}

> <pdid>

> <targets>
{PHD1,PHD2,PHD3}

> <classes>
{Metabolism,Chromatin/Epigenetic}

> <pubchem_cids>
{44230662}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  2  1  0
  1  7  2  3
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11  1  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13311

> <plate>
PLATE 004

> <well>
H11

> <supplier_cmpd_name>
3-TYP

> <ctcr_id>
11652

> <supplier_cmpd_id>
T4108

> <smiles>
C1(C2=CN=NN2)=CC=CN=C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{TY,3-TYP,3TYP,120241-79-4,120241794,"3-(1H-1,2,3-triazol-4-yl)pyridine","3(1H1,2,3triazol4yl)pyridine",3-(2H-triazol-4-yl)pyridine,3(2Htriazol4yl)pyridine,Pyridine(3-TYP),Pyridine(3TYP),"3-(1H-1,2,3-
triazol-4-yl) pyridine","3(1H1,2,3triazol4yl) pyridine","3-(1H-1,2,3-triazol-5-yl)pyridine","3(1H1,2,3triazol5yl)pyridine","3-(1,2,3-triazol-4-yl)pyridine","3(1,2,3triazol4yl)pyridine","Pyridine, 3-(1
H-1,2,3-triazol-5-yl)-","Pyridine, 3(1H1,2,3triazol5yl)",Pyrid,T4108}

> <pdid>

> <targets>
{SIRT1,SIRT2,SIRT3}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{9833992}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -9.0975    0.7431    0.0000 O   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.4963   -0.7576    0.0000 C   0  0
   -5.1962   -1.5058    0.0000 O   0  0
   -7.7941   -1.5099    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 14  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 11 24  1  0
 24 25  2  0
 25  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13312

> <plate>
PLATE 005

> <well>
A2

> <supplier_cmpd_name>
MG149

> <ctcr_id>
7449

> <supplier_cmpd_id>
T6584

> <smiles>
CCCCCCCc1ccc(CCc2cccc(O)c2C(=O)O)cc1

> <pd_targets>
{REP,KAT8,KAT5}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transferase,Reader,"Methyl-lysine/arginine binding protein",Chromodomain}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Chromatin modifying enzymes","Viral protein targets","2.3.1.48 Histone acetyltransferases (HATs)","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Chromatin organization","DNA Repair","Infectious disease","Chromatin modifying enzymes","DNA Double-Strand Break Repair","SARS-CoV Infections","HATs acetylate histones","Homology Directed Re
pair","SARS-CoV-2 Infection","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SARS-CoV-2 Genome Replication and Transcription","HDR through Homologous Recombination (HRR)
","Replication of the SARS-CoV-2 genome","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MG149,1243583-85-8,1243583858,"MG 149",MG-149,"Tip60 HAT inhibitor","2-(2-(4-heptylphenyl)ethyl)-6-hydroxybenzoic acid","2(2(4heptylphenyl)ethyl)6hydroxybenzoic acid","2-(4-heptylphenethyl)-6-hydroxy
benzoic acid","2(4heptylphenethyl)6hydroxybenzoic acid",CHEMBL1215739,MLS006010317,GTPL7488,SCHEMBL20771694,BCP14627,BDBM50360449,s7476,ZINC58568747,C,T6584,S7476}

> <pdid>
PD016583

> <targets>
{"Histone Acetyltransferase"}

> <classes>
{}

> <pubchem_cids>
{49864204}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.7740    3.3412    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 S   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 N   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    0.7500   -1.5574    0.0000 N   0  0
    2.6401   -3.4480    0.0000 C   0  0
   -3.1510   -0.7161    0.0000 C   0  0
   -4.1703    0.3855    0.0000 C   0  0
   -5.6334    0.0548    0.0000 O   0  0
   -3.7257    1.8181    0.0000 N   0  0
    0.0000    3.2293    0.0000 C   0  0
    1.3386    3.9148    0.0000 C   0  0
    1.4153    5.4128    0.0000 C   0  0
    0.1563    6.2283    0.0000 C   0  0
   -1.1794    5.5457    0.0000 C   0  0
   -1.2561    4.0476    0.0000 C   0  0
    0.2330    7.7263    0.0000 Cl  0  0
    5.2315    1.1941    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  5  1  0
 14 10  1  0
 13 15  1  0
  9 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
  3 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13313

> <plate>
PLATE 005

> <well>
A3

> <supplier_cmpd_name>
CPI-203

> <ctcr_id>
12477

> <supplier_cmpd_id>
T6026

> <smiles>
Cc1c(sc2c1C(=NC(c1nnc(n21)C)CC(=O)N)c1ccc(cc1)Cl)C

> <pd_targets>
{BRD4}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","Potential therapeutics for SARS"}

> <broad_targets>
{BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{PI20,202591-23-9,202591239,SCHEMBL17051088,HMS3653M10,HMS3743A19,BCP10446,AKOS026750488,AK198944,DA-34961,DA34961,FT-0700467,FT0700467,FT-0701728,FT0701728,J-690258,J690258,C1=2C(C)=C(C)SC=2N2C(C)=NN
=C2C(CC(N)=O)N=C1C1=CC=C(Cl)C=C1,T6026,T2442,CPI-203}

> <pdid>
PD010357

> <targets>
{BRD4}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{19704953}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    2.6108   -5.9949    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    2.6004   -2.9949    0.0000 C   0  0
    5.2111   -5.9837    0.0000 N   0  0
    6.5072   -5.2269    0.0000 C   0  0
    7.8629   -5.8385    0.0000 C   0  0
    8.8588   -4.7169    0.0000 N   0  0
    8.0998   -3.4231    0.0000 C   0  0
    6.6348   -3.7451    0.0000 O   0  0
    8.7007   -2.0479    0.0000 C   0  0
   10.1699   -1.7708    0.0000 C   0  0
   10.6653   -0.3550    0.0000 C   0  0
    9.6869    0.7820    0.0000 C   0  0
    8.2130    0.5031    0.0000 C   0  0
    7.7176   -0.9127    0.0000 C   0  0
    6.2442   -1.1938    0.0000 Cl  0  0
   11.1479   -2.9081    0.0000 F   0  0
    8.1763   -7.3036    0.0000 C   0  0
    9.6032   -7.7661    0.0000 O   0  0
    7.0626   -8.3083    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 26 27  1  0
 22 28  1  0
 17 29  1  0
 29 30  2  0
 29 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13314

> <plate>
PLATE 005

> <well>
A4

> <supplier_cmpd_name>
SAR-20347

> <ctcr_id>
11552

> <supplier_cmpd_id>
T4210

> <smiles>
C1COCCN1C(=O)c1ccc(cc1)Nc1c(nc(o1)c1c(cccc1Cl)F)C(=O)N

> <pd_targets>
{JAK2,JAK1,JAK3,TYK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Cell Cycle","Immune System",Mitotic,"Cytokine Signaling in Immune system","Mitotic G1 phase and G1/S transition","Interferon Signaling","Signaling by Interleukins","G1 Phase","Antiviral mechanism by
 IFN-stimulated genes","Interleukin-2 family signaling","Interferon alpha/beta signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","Interleukin-15 signaling","Regulation of IFNA 
signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AR2034,SAR-20347,SAR20347,1450881-55-6,1450881556,CHEMBL4476770,GTPL9803,SCHEMBL15224662,AMY16796,BCP19857,EX-A1368,EXA1368,BDBM50507817,NSC798517,ZB1527,CS-7983,CS7983,NSC-798517,SB17052,"SAR20347;S
AR 20347",BS-15430,BS15430,HY-100895,HY100895,T4210}

> <pdid>
PD076501

> <targets>
{JAK1,JAK2,JAK3,TYK2}

> <classes>
{Angiogenesis,"Tyrosine Kinase/Adaptors",Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{71727668}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    5.1932   -3.0130    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.0838   -1.5929    0.0000 C   0  0
    3.0494   -0.4439    0.0000 C   0  0
    2.5404    0.9671    0.0000 C   0  0
    1.0640    1.2318    0.0000 C   0  0
    0.5550    2.6428    0.0000 C   0  0
    1.5224    3.7891    0.0000 C   0  0
    2.9989    3.5244    0.0000 C   0  0
    3.5079    2.1134    0.0000 C   0  0
    4.9843    1.8487    0.0000 C   0  0
    5.4934    0.4377    0.0000 C   0  0
    4.5259   -0.7086    0.0000 C   0  0
    5.0349   -2.1196    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0
   -0.0036   -2.9947    0.0000 C   0  0
   -0.0009   -1.4946    0.0000 C   0  0
   -1.2986   -0.7422    0.0000 C   0  0
   -2.5990   -1.4898    0.0000 C   0  0
   -2.6018   -2.9898    0.0000 C   0  0
   -1.3042   -3.7422    0.0000 C   0  0
    1.2883   -5.2495    0.0000 N   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5040    0.0000 S   0  0
    3.8864   -5.2585    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 16 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13315

> <plate>
PLATE 005

> <well>
A5

> <supplier_cmpd_name>
Cambinol

> <ctcr_id>
11653

> <supplier_cmpd_id>
T4019

> <smiles>
O=c1c(Cc2c3ccccc3ccc2O)c(c2ccccc2)[nH]c(=S)[nH]1

> <pd_targets>
{TSHR,SIRT2,SIRT5,SIRT1,HIF1A,CYP2C9,CYP1A2,CYP2C19,HSD17B10,CYP3A4,SIRT3,SMPD3}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Transcription factor",Enzyme,"Family A G protein-coupled receptor",Eraser,"Cytochrome P450",Oxidoreductase,Hydrolase,"Peptide receptor (family A GPCR)","Hi
stone deacetylase","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Glycohormone receptor","HDAC class III","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cy
tochrome P450 family 3A","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","Cytochrome P450","Ceramide turnover","Glycoprotein hormone receptors","3.5.1.- Histone deacetylases (HDACs)","CYP2 famil
y: drug metabolising subset","CYP1 family","CYP3 family","Sphingomyelin phosphodiesterase"}

> <pathway_reactome>
{Disease,"Cell Cycle","Organelle biogenesis and maintenance","Gene expression (Transcription)","Cellular responses to external stimuli",Metabolism,"Infectious disease",Mitotic,"Mitochondrial biogenesi
s","RNA Polymerase II Transcription","Cellular responses to stress","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids","Leishmania infection","M Phase","Transcr
iptional activation of mitochondrial biogenesis","Generic Transcription Pathway","Cellular response to hypoxia","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Biosy
nthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Oxygen-depende
nt proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Glycosphingolipid metabolism","Anti-inflammatory response
 favouring Leishmania parasite infection","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation",Xenobiotics,"Biosynthesis of maresins","FOXO-mediated transcription of oxidati
ve stress","metabolic and neuronal genes","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-de
alkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{cambinol,14513-15-6,14513156,"SIRT1/2 Inhibitor IV, Cambinol",NSC112546,NSC-112546,MFCD09057543,"NSC 112546",NSC-1125476,NSC1125476,NCIStruc1_001428,NCIStruc1001428,NCIStruc1-001428,"NCIStruc1 001428
",NCIStruc2_001159,NCIStruc2001159,NCIStruc2-001159,"NCIStruc2 001159",CHEMBL491960,SCHEMBL2538372,BDBM29040,DTXSID40390573,HMS3261K21,BCP28973,EX-A1837,EXA1837,ZINC7996283,Tox21_,Tox21,Tox21-,T4019,C
ambinol}

> <pdid>
PD015687

> <targets>
{SIRT1,SIRT2}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{3246390}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    1.2738   -8.2484    0.0000 C   0  0
    2.5765   -7.5048    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8994    3.7478    0.0000 O   0  0
    5.1973    2.9959    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2959    5.2508    0.0000 O   0  0
   -0.0049    5.9994    0.0000 C   0  0
   -0.0080    7.5002    0.0000 C   0  0
   -1.3088    8.2488    0.0000 C   0  0
   -1.3119    9.7496    0.0000 N   0  0
   -2.5255   10.6094    0.0000 C   0  0
   -2.0620   12.0360    0.0000 C   0  0
   -0.5620   12.0360    0.0000 C   0  0
   -0.0984   10.6094    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -6.4767   -2.2262    0.0000 F   0  0
   -5.1569   -4.5041    0.0000 F   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    3.8716   -8.2615    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
 14 24  2  0
 24 25  1  0
 25  9  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 34 35  1  0
 35 28  1  0
 27 36  2  0
 36  8  1  0
  6 37  1  0
 37 38  1  0
 38  3  1  0
  2 39  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13316

> <plate>
PLATE 005

> <well>
A6

> <supplier_cmpd_name>
UNC-0642

> <ctcr_id>
12553

> <supplier_cmpd_id>
T4166

> <smiles>
CC(N1CCC(Nc2c3cc(OC)c(OCCCN4CCCC4)cc3nc(N3CCC(F)(F)CC3)n2)CC1)C

> <pd_targets>
{HRH3,EHMT2,ADRA1D,EHMT1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Family A G protein-coupled receptor",Writer,"Small molecule receptor (family A GPCR)","Protein methyltransferase","Monoamine receptor","Histamine receptor"
,"Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","Histamine receptors","2.1.1.43 Histone methyltransferases (HMTs)",Adrenoceptors}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Signaling by GPCR","RNA Polymerase II Transcription","GPCR ligand binding","Generic Transcription Pathway","Class A/1 (Rhodopsin-like receptor
s)","Transcriptional Regulation by TP53","Amine ligand-binding receptors","Regulation of TP53 Activity","Histamine receptors","Regulation of TP53 Activity through Methylation",Adrenoceptors}

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{UNC0642,1481677-78-4,1481677784,"UNC 0642",UNC-0642,CHEMBL2441082,Barrett,GTPL7017,SCHEMBL17372593,AOB2595,BCP08266,EX-A2241,EXA2241,BDBM50442103,s7230,ZINC96285772,AKOS024458509,CCG-269984,CCG269984
,CS-5269,CS5269,SB19046,NCGC00189140-01,NCGC0018914001,NCGC00189140-02,NCGC0018914002,AC-33189,AC33189,AK547424,AS-16721,AS16721,T4166}

> <pdid>
PD000018

> <targets>
{G9a/GLP}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{53315878}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 57 58  0  0  1  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4933    0.0000 C   0  0  1  0  0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7386    0.0000 C   0  0
  -10.3985    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7386    0.0000 C   0  0
   -7.8005    2.9887    0.0000 C   0  0
   -5.2060    2.9941    0.0000 C   0  0
   -3.9095    3.7486    0.0000 O   0  0
   -6.5081    3.7404    0.0000 N   0  0
   -6.5137    5.2412    0.0000 C   0  0  1  0  0  0
   -5.2173    5.9957    0.0000 C   0  0
   -7.8159    5.9876    0.0000 C   0  0
   -8.6801    5.4846    0.0000 O   0  0
   -7.8215    7.4884    0.0000 N   0  0
   -9.1236    8.2347    0.0000 C   0  0  1  0  0  0
  -10.4192    7.4771    0.0000 C   0  0
  -10.4119    5.9763    0.0000 C   0  0
  -11.7068    5.2191    0.0000 C   0  0
   -9.5433    5.4808    0.0000 C   0  0
   -9.1293    9.7355    0.0000 C   0  0
   -7.8329   10.4900    0.0000 O   0  0
  -10.4314   10.4818    0.0000 N   0  0
  -10.4371   11.9826    0.0000 C   0  0  1  0  0  0
  -11.7392   12.7290    0.0000 C   0  0
  -11.7449   14.2298    0.0000 C   0  0
  -13.0470   14.9761    0.0000 C   0  0
  -13.0526   16.4769    0.0000 C   0  0
  -14.3547   17.2232    0.0000 N   0  0
  -14.3604   18.7240    0.0000 C   0  0
  -15.6618   19.4700    0.0000 C   0  0
  -15.6534   16.4710    0.0000 C   0  0
  -16.9540   17.2183    0.0000 C   0  0
   -9.1415   12.7402    0.0000 C   0  0
   -7.8386   11.9970    0.0000 O   0  0
   -9.1488   14.2410    0.0000 N   0  0
   -7.8532   14.9986    0.0000 C   0  0  1  0  0  0
   -6.5511   14.2523    0.0000 C   0  0
   -6.5454   12.7523    0.0000 O   0  0
   -7.8606   16.4994    0.0000 C   0  0
   -9.1635   17.2426    0.0000 O   0  0
   -6.5650   17.2570    0.0000 O   0  0
   -6.5723   18.7570    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 12 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  2  0
 25 27  1  0
 28 27  1  1
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 28 33  1  0
 33 34  2  0
 33 35  1  0
 36 35  1  1
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 41 44  1  0
 44 45  1  0
 36 46  1  0
 46 47  2  0
 46 48  1  0
 49 48  1  6
 49 50  1  0
 50 51  1  0
 49 52  1  0
 52 53  2  0
 52 54  1  0
 54 55  1  0
  8 56  1  0
 56 57  2  0
 57  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13317

> <plate>
PLATE 005

> <well>
A7

> <supplier_cmpd_name>
UNC3866

> <ctcr_id>
12580

> <supplier_cmpd_id>
T4021

> <smiles>
CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN(CC)CC)C(=O)N[C@@H](CO)C(=O)OC)cc1

> <pd_targets>
{CBX8,CBX4,CBX7,CDYL2,CBX6,CDY1,CDYL,CBX2}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator",Reader,Transferase,"Methyl-lysine/arginine binding protein",Chromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 interacts with co-factors whose precise effect on RUNX
1 targets is not known"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{UNC3866,1872382-47-2,1872382472,UNC-3866,CHEMBL3939958,"UNC 3866","1872382-47-2 (free base)","1872382472 (free base)",EX-A1501,EXA1501,BDBM50194259,s8359,AKOS030632022,ZINC584905786,CCG-270488,CCG270
488,CS-6101,CS6101,"1872382-48-3 (TFA salt)","1872382483 (TFA salt)",BS-16367,BS16367,HY-100832,HY100832,J3.563.155K,A11599,T4021}

> <pdid>
PD039043

> <targets>
{CBX7-H3}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{101043861}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  1  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    2.6004    2.9949    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0  2  0  0  0
    0.0127    6.0039    0.0000 N   0  0
    8.9458    0.9613    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 10 17  1  0
  9 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13318

> <plate>
PLATE 005

> <well>
A8

> <supplier_cmpd_name>
TAK-659 hydrochloride

> <ctcr_id>
11553

> <supplier_cmpd_id>
T4209

> <smiles>
Cn1cc(cn1)c1nc(c(c2c1C(=O)NC2)F)N[C@@H]1CCCC[C@@H]1N.Cl

> <pd_targets>
{SYK,ZAP70,KDR,EPHA1,RET,JAK3,FLT3,PDGFRA,PAK4,FER,CHEK1,PHKG2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Syk family","Tyrosine protein kinase VEGFR family","Tyrosine p
rotein kinase Eph family","Tyrosine protein kinase Ret family","Tyrosine protein kinase JakA family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","Tyrosine protein kinase F
er family","CAMK protein kinase CAMK1 family","CAMK protein kinase PHk family","STE protein kinase PAKB subfamily","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kina
ses","TK: Tyrosine kinase","STE20 family","CAMK-like (CAMKL) family","Phosphorylase kinase (PHK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","PAKB subfamily","CH
K1 subfamily","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type XIV RTKs: RET","Janus kinase (JakA) family","Type II
I RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Fer family"}

> <pathway_reactome>
{Disease,"Immune System","Signal Transduction","Developmental Biology","DNA Repair",Metabolism,"Infectious disease","Adaptive Immune System","Signaling by Receptor Tyrosine Kinases","Nervous system de
velopment","Cytokine Signaling in Immune system","Diseases of signal transduction by growth factor receptors and second messengers","DNA Double-Strand Break Repair","Metabolism of carbohydrates","Leis
hmania infection","TCR signaling","Signaling by VEGF","Axon guidance","Signaling by Interleukins","Signaling by Insulin receptor","Signaling by PDGFR in disease","Signaling by SCF-KIT","Homology Direc
ted Repair","Glycogen metabolism","Leishmania parasite growth and survival","Generation of second messenger molecules","VEGFA-VEGFR2 Pathway","EPH-Ephrin signaling","RET signaling","Interleukin-2 fami
ly signaling","Insulin receptor signalling cascade","Drug resistance of PDGFR mutants","Signaling by ROBO receptors","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Glyc
ogen breakdown (glycogenolysis)","Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","EPHA-mediated growth cone collapse","Interleukin-15 signalin
g","IRS-mediated signalling","Imatinib-resistant PDGFR mutants","Activation of RAC1","HDR through Homologous Recombination (HRR)","FCGR3A-mediated IL10 synthesis","PI3K Cascade","Homologous DNA Pairin
g and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"spleen associated tyrosine kinase inhibitor"}

> <synonyms>
{"AK659 HYDROCHLORID","TAK-659 Hydrochloride","TAK659 Hydrochloride",1952251-28-3,1952251283,"TAK-659 (hydrochloride)","TAK659 (hydrochloride)","TAK-659 HCl","TAK659 HCl","TAK659 hydrochloride",BCP288
84,EX-A2601,EXA2601,s8442,CCG-268414,CCG268414,CS-6988,CS6988,HY-100867A,HY100867A,SB19655,AS-57501,AS57501,T4209,"TAK-659 hydrochloride"}

> <pdid>
PD060787

> <targets>
{FLT3,JAK3,Syk}

> <classes>
{Angiogenesis,Tyrosine Kinase/Adaptors,Chromatin/Epigenetic,Tyrosine Kinase/Adaptors,JAK/STAT signaling,Stem Cells,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{129626432}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 17 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.6913    4.0797    0.0000 C   0  0
    1.6952    5.1942    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5533    4.4223    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  3  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11  4  1  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13319

> <plate>
PLATE 005

> <well>
A9

> <supplier_cmpd_name>
KDM4D-IN-1

> <ctcr_id>
13491

> <supplier_cmpd_id>
T4214

> <smiles>
Oc1nc2c(C#N)c(C)nn2c2c1cccn2

> <pd_targets>
{KDM4D}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Chromatin organization","Chromatin modifying enzymes","HDMs demethylate histones"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DM4DIN,KDM4D-IN-1,KDM4DIN1,2098902-68-0,2098902680,CHEMBL4090908,BCP32624,BDBM50242878,s1059,CS-7575,CS7575,HY-101928,HY101928,T4214}

> <pdid>
PD087499

> <targets>
{KDM4D}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{137174251}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8994    3.7478    0.0000 C   0  0
    3.9020    5.2478    0.0000 O   0  0
    5.1980    2.9955    0.0000 N   0  0
    5.1954    1.4955    0.0000 C   0  0
    6.4993    3.7433    0.0000 C   0  0
    7.7984    2.9933    0.0000 C   0  0
    9.0975    3.7433    0.0000 C   0  0
    9.0975    5.2433    0.0000 C   0  0
    7.7985    5.9933    0.0000 C   0  0
    6.4994    5.2433    0.0000 C   0  0
   10.3973    5.9937    0.0000 C   0  0
   11.6968    5.2445    0.0000 F   0  0
   10.3968    7.4937    0.0000 F   0  0
   11.6960    6.7443    0.0000 F   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 13 28  2  0
 28  4  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13320

> <plate>
PLATE 005

> <well>
A10

> <supplier_cmpd_name>
Tasquinimod

> <ctcr_id>
11654

> <supplier_cmpd_id>
T6695

> <smiles>
COc1c2c(ccc1)n(C)c(=O)c(C(=O)N(C)c1ccc(cc1)C(F)(F)F)c2O

> <pd_targets>
{HDAC4}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIa"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX2","RUNX2 regulates bone development","RUNX2 regulates chondrocy
te maturation"}

> <broad_targets>
{HDAC4}

> <broad_moa>
{"angiogenesis inhibitor","S100A9 inhibitor"}

> <synonyms>
{Tasquinimod,254964-60-8,254964608,ABR-215050,ABR215050,UNII-756U07KN1R,UNII756U07KN1R,756U07KN1R,"Tasquinimod (INN)",TASQ,Tasquinimod(ABR-215050),Tasquinimod(ABR215050),GTPL8098,SCHEMBL4476895,CHEMBL
2107784,DTXSID90180183,ZINC602397,AOB87360,BCP10352,2746AH,MFCD18251454,s7617,AM84841,CCG-268712,CCG268712,CS-08,CS08,T6695}

> <pdid>
PD016202

> <targets>
{HDAC4,HDAC}

> <classes>
{Chromatin/Epigenetic,DNA Damage/DNA Repair,NF-¦ªb,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{54682876}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   14.7199   -4.3382    0.0000 Cl  0  0
   13.9320   -3.0617    0.0000 C   0  0
   14.6435   -1.7412    0.0000 C   0  0
   13.8556   -0.4648    0.0000 C   0  0
   12.3562   -0.5089    0.0000 C   0  0
   11.5680    0.7673    0.0000 Cl  0  0
   11.6479   -1.8255    0.0000 C   0  0
   12.4326   -3.1059    0.0000 C   0  0
   10.1554   -1.9824    0.0000 C   0  0
    9.1517   -0.8676    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    7.9382   -2.9695    0.0000 C   0  0
    9.4054   -3.2814    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9940    0.0000 C   0  0
    5.2056   -4.4940    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13321

> <plate>
PLATE 005

> <well>
A11

> <supplier_cmpd_name>
AGK2

> <ctcr_id>
8345

> <supplier_cmpd_id>
T6371

> <smiles>
Clc1ccc(Cl)c(c1)c2oc(cc2)\C=C(C#N)\C(=O)Nc3cccc4ncccc34

> <pd_targets>
{SIRT1,SIRT2,SIRT3,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,"Histone deacetylase","Protein Kinase","HDAC class III","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP
 subfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.5.1.- Histone deacetylases (HDACs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","FOXO-mediated transcription","Mitotic Metaphase and Anaphase","Tran
scriptional Regulation by TP53","Regulation of FOXO transcriptional activity by acetylation","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Regula
tion of TP53 Activity","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AGK2,AGK-2,304896-28-4,304896284,"AGK 2",UNII-DDF0L8606A,UNIIDDF0L8606A,"2-Cyano-3-(5-(2,5-dichlorophenyl)-2-furanyl)-N-5-quinolinyl-2-propenamide","2Cyano3(5(2,5dichlorophenyl)2furanyl)N5quinolinyl2
propenamide",CHEMBL224864,DDF0L8606A,MFCD01909444,"2-Propenamide, 2-cyano-3-(5-(2,5-dichlorophenyl)-2-furanyl)-N-5-quinolinyl-","2Propenamide, 2cyano3(5(2,5dichlorophenyl)2furanyl)N5quinolinyl","Sirtu
in 2 I",T6371,3233}

> <pdid>
PD003459

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2130404}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.3786   -3.8595    0.0000 S   0  0
   -1.8371   -5.2877    0.0000 C   0  0
   -0.9513   -6.4982    0.0000 O   0  0
   -3.3371   -5.2929    0.0000 N   0  0
   -3.8056   -3.8680    0.0000 C   0  0
   -5.2311   -3.4009    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  2  0
 18  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13322

> <plate>
PLATE 005

> <well>
B2

> <supplier_cmpd_name>
SMI-4a

> <ctcr_id>
7363

> <supplier_cmpd_id>
T4215

> <smiles>
FC(F)(F)c1cccc(/C=C/2SC(=O)NC2=O)c1

> <pd_targets>
{PIM1,PIM2,TTR,CISD1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)",Transthyretin,"CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","FLT3 signaling in disease","GPCR downstream signalling","Signalin
g by FLT3 ITD and TKD mutants","G alpha (i) signalling events","STAT5 activation downstream of FLT3 ITD mutants","Visual phototransduction","The canonical retinoid cycle in rods (twilight vision)"}

> <broad_targets>
{PIM1}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{"CS PIM1 4",438190-29-5,438190295,SMI-4a,SMI4a,"SMI 4a","TCS PIM-1 4a","TCS PIM1 4a",(Z)-SMI-4a,(Z)SMI4a,"(Z)-5-(3-(trifluoromethyl)benzylidene)thiazolidine-2,4-dione","(Z)5(3(trifluoromethyl)benzyli
dene)thiazolidine2,4dione","(5Z)-5-(3-(trifluoromethyl)benzylidene)-1,3-thiazolidine-2,4-dione","(5Z)5(3(trifluoromethyl)benzylidene)1,3thiazolidine2,4dione",CHEMBL183906,(5Z)-5-((3-(TRIFLUOROMETHYL)P
HENYL)METHY,(5Z)5((3(TRIFLUOROMETHYL)PHENYL)METHY,SY-SMI-4a,"EMD 526523",nan,S8005,526523}

> <pdid>
PD010270

> <targets>
{PIM,Pim}

> <classes>
{}

> <pubchem_cids>
{1361334}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    8.3381   -0.8432    0.0000 F   0  0
    6.8516   -1.0438    0.0000 C   0  0
    5.9346    0.1432    0.0000 C   0  0
    4.4481   -0.0574    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.7956   -2.6321    0.0000 C   0  0
    6.2821   -2.4315    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 N   0  0
   -0.6913   -4.0797    0.0000 S   0  0
   -0.2276   -5.5062    0.0000 O   0  0
    0.7759   -4.3916    0.0000 O   0  0
   -2.1595   -3.7683    0.0000 C   0  0
   -3.1627   -4.8835    0.0000 C   0  0
   -4.6300   -4.5722    0.0000 C   0  0
   -5.0942   -3.1458    0.0000 C   0  0
   -4.0910   -2.0307    0.0000 C   0  0
   -2.6236   -2.3419    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 18  9  1  0
 18 19  1  0
 19 20  2  0
 20  8  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 22 24  2  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13323

> <plate>
PLATE 005

> <well>
B3

> <supplier_cmpd_name>
CAY10602

> <ctcr_id>
11655

> <supplier_cmpd_id>
T4062

> <smiles>
Fc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CAY10602,374922-43-7,374922437,"1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo(2,3-b)quinoxalin-2-amine","1(4fluorophenyl)3(phenylsulfonyl)1Hpyrrolo(2,3b)quinoxalin2amine",CHEMBL3941013,"3-(benzene
sulfonyl)-1-(4-fluorophenyl)pyrrolo(3,2-b)quinoxalin-2-amine","3(benzenesulfonyl)1(4fluorophenyl)pyrrolo(3,2b)quinoxalin2amine",C22H15FN4O2S,1-(4-Fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo,1(4Fluorop
henyl)3(phenylsulfonyl)1Hpyrrolo,T4062}

> <pdid>
PD019642

> <targets>
{SIRT1}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{1915791}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 15 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
 14 15  1  0
 15  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13324

> <plate>
PLATE 005

> <well>
B4

> <supplier_cmpd_name>
Splitomicin

> <ctcr_id>
11656

> <supplier_cmpd_id>
T6678

> <smiles>
O=C1CCc2c3ccccc3ccc2O1

> <pd_targets>
{SIRT1,HSD17B10,CYP2C9,CYP1A2,SIR2,CYP2C19,HPGD,GLA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Oxidoreductase,"Cytochrome P450",Hydrolase,"Histone deacetylase","Cytochrome P450 family 2","Cytochrome P450 family 1","HDAC class III","Cytochrome P450 family 2C
","Cytochrome P450 family 1A","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","3.5.1.- Histone deacetylases (HDACs)","CYP2 family: drug metabolising subset","CYP1 family","Prostaglandin synthases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids","Generic Transcription Pathwa
y","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","FOXO-mediated transcription"
,"Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Glycosphingolipid metabolism","Regulation of FOXO transcriptional activity by acetylation",Xenobiotics,"Biosynthesis
 of D-series resolvins","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{5690-03-9,5690039,Splitomycin,"1,2-Dihydro-3H-naphtho(2,1-b)pyran-3-one","1,2Dihydro3Hnaphtho(2,1b)pyran3one",1H-benzo(f)chromen-3(2H)-one,1Hbenzo(f)chromen3(2H)one,"1,2-dihydrobenzo(f)chromen-3-one"
,"1,2dihydrobenzo(f)chromen3one",CHEMBL86537,CHEBI:75272,MFCD08705254,"1H,2H,3H-naphtho(2,1-b)pyran-3-one","1H,2H,3Hnaphtho(2,1b)pyran3one",1,2-dihydro-3h-benzo(f)chro,2dihydro3hbenzo(f)chro,T6678,Spl
itomicin}

> <pdid>
PD000464

> <targets>
{SIRT2p}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{5269}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 33  0  0  0  0            999 V2000
   11.3933    0.3689    0.0000 H   0  3
    8.8933    0.3689    0.0000 O   0  0
    6.3933    0.3689    0.0000 Cl  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7454    0.0000 O   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -7.8010    2.9932    0.0000 O   0  0
   -9.0971    0.7409    0.0000 N   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -11.6975    0.7386    0.0000 C   0  0
  -12.9965    1.4886    0.0000 C   0  0
  -12.9966    2.9886    0.0000 C   0  0
  -11.6976    3.7386    0.0000 C   0  0
  -10.3985    2.9887    0.0000 C   0  0
  -14.2948    3.7417    0.0000 C   0  0
  -15.5951    2.9939    0.0000 O   0  0
  -14.2927    5.2425    0.0000 N   0  0
  -15.5902    5.9951    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 15 31  1  0
 31 32  2  0
 32 33  1  0
 33 13  1  0
 33 34  2  0
 34 10  1  0
M  CHG  2   1   1   3  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13325

> <plate>
PLATE 005

> <well>
B5

> <supplier_cmpd_name>
Givinostat hydrochloride monohydrate

> <ctcr_id>
6543

> <supplier_cmpd_id>
T6279

> <smiles>
[H+].O.[Cl-].CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1

> <pd_targets>
{HDAC9,HDAC6,HDAC2,HDAC5,HDAC4,HDAC3,HDAC7,HDAC8,HDAC1,HD1B}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIa","HDAC class IIb","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Disorders of Developmental
 Biology",Mitotic,"Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Disorders of Nervous System Development","M Phase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcript
ional regulation by RUNX2","Transcriptional Regulation by TP53","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 re
gulates bone development","Regulation of TP53 Activity","Loss of function of MECP2 in Rett syndrome","Mitotic Anaphase","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Activity throug
h Acetylation","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{732302-99-7,732302997,"Givinostat Hydrochloride Hydrate","ITF2357 (Givinostat)","Givinostat hydrochloride monohydrate","Givinostat HCl hydrate","Givinostat (ITF2357)","732302-99-7 (HCl hydrate)","732
302997 (HCl hydrate)","Givinostat (hydrochloride monohydrate)",C15H14,T6279,S2170}

> <pdid>
PD046520

> <targets>
{HDAC}

> <classes>
{Cytoskeletal Signaling,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{9804991,52914048}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 N   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  2  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 13  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13326

> <plate>
PLATE 005

> <well>
B6

> <supplier_cmpd_name>
AS-8351

> <ctcr_id>
13209

> <supplier_cmpd_id>
T4100

> <smiles>
O=C(c1ccncc1)N/N=C/c1c2ccccc2ccc1O

> <pd_targets>
{PAX8}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S835,AS-8351,AS8351,796-42-9,796429,"2-Hydroxy-1-naphthaldehyde isonicotinoylhydrazone","2Hydroxy1naphthaldehyde isonicotinoylhydrazone",MLS002702858,NSC51355,"AS 8351","2-Hydroxy-1-naphthylaldehyde 
isonicotinoyl hydrazone","2Hydroxy1naphthylaldehyde isonicotinoyl hydrazone","2-hydroxy-1-naphthaldehyde isonicotinoyl hydrazone","2hydroxy1naphthaldehyde isonicotinoyl hydrazone",CHEMBL1971001,SCHEMB
L16713131,ZINC6117,T4100}

> <pdid>
PD043683

> <targets>
{Demethylase}

> <classes>
{Others}

> <pubchem_cids>
{135408575}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -4.9623    7.9857    0.0000 C   0  0
   -4.2165    9.2871    0.0000 C   0  0
   -2.7483    8.9800    0.0000 C   0  0
   -2.6056    7.4996    0.0000 N   0  0
   -3.9550    6.8742    0.0000 C   0  0
   -1.3050    6.7507    0.0000 C   0  0
   -1.3022    5.2499    0.0000 C   0  0
   -0.0016    4.5011    0.0000 O   0  0
    0.0012    3.0002    0.0000 C   0  0
   -1.2981    2.2506    0.0000 C   0  0
   -1.2985    0.7506    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3000   -2.2500    0.0000 C   0  0
    2.5989   -1.4998    0.0000 N   0  0
    3.8981   -2.2494    0.0000 C   0  0
    3.8985   -3.7494    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    1.3000   -3.7500    0.0000 N   0  0
    3.9000   -3.7500    0.0000 C   0  0
    3.9010   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 C   0  0
    6.4990   -2.2500    0.0000 C   0  0
    6.5000   -3.7500    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000   -1.5000    0.0000 O   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    3.0000    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33  9  1  0
 33 34  2  0
 34 12  1  0
 24 35  2  0
 35 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13327

> <plate>
PLATE 005

> <well>
B7

> <supplier_cmpd_name>
Pacritinib

> <ctcr_id>
3986

> <supplier_cmpd_id>
T6020

> <smiles>
C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COCC=CCOCc2c3)c5

> <pd_targets>
{JAK3,JAK2,JAK1,FLT3,TYK2,CCNA1,CCNA2,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","CMG
C protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type III RTKs: PDGFR"
,CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Cytokine Signaling in Immune system",Mitotic,"Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Mitotic G1 phase and G1/S transi
tion","Interferon Signaling","Signaling by Insulin receptor","Interleukin-2 family signaling","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Insulin receptor signalling cascade","Interferon
 alpha/beta signaling","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","IRS-mediated signalling","Regulation of IFNA signaling","PI3K Cascade"}

> <broad_targets>
{FLT3,JAK1,JAK2,JAK3}

> <broad_moa>
{"FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{Pacritinib(SB1518),CHEMBL2181330,HMS3653B08,HMS3673G03,ZINC43153645,ZINC95938301,AK311720,DA-40351,DA40351,FT-0701734,FT0701734,T6020,S8057,Pacritinib,"Pacritinib (SB1518)"}

> <pdid>
PD036192

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{73354318}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.6531  -10.0886    0.0000 C   0  0
    1.1844   -9.7837    0.0000 O   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.1996    1.4928    0.0000 O   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
  6 21  1  0
 21 22  2  0
 22  3  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13328

> <plate>
PLATE 005

> <well>
B8

> <supplier_cmpd_name>
PCI-34051

> <ctcr_id>
909

> <supplier_cmpd_id>
T6325

> <smiles>
COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1

> <pd_targets>
{HDAC7,HDAC10,HDAC1,HDAC6,HDAC8,HDAC2,HDAC3,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIa","HDAC class IIb","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental Biology","RNA Polymerase II Trans
cription",Mitotic,"Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive 
developmental disorders","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of 
function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Mitotic Anaphase","Regulation of TP53 Activity","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast different
iation","Separation of Sister Chromatids","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC6,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{CI3405,PCI-34051,PCI34051,950762-95-5,950762955,"PCI 34051",N-hydroxy-1-(4-methoxybenzyl)-1H-indole-6-carboxamide,Nhydroxy1(4methoxybenzyl)1Hindole6carboxamide,UNII-PUI52VXV61,UNIIPUI52VXV61,N-hydrox
y-1-((4-methoxyphenyl)methyl)indole-6-carboxamide,Nhydroxy1((4methoxyphenyl)methyl)indole6carboxamide,PUI52VXV61,CHEMBL2170177,N-Hydroxy-1-((4-methoxyphenyl)methyl)-1H-indole-6,NHydroxy1((4methoxyphen
yl)methyl)1Hindole6,T6325,S2012}

> <pdid>
PD003631

> <targets>
{HDAC,Apoptosis}

> <classes>
{Epigenetics,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{24753719}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
   -1.2989    0.7502    0.0000 C   0  0
    0.0000    0.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    3.9000   -3.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 O   0  0
    6.5000   -3.7500    0.0000 C   0  0
    7.7989   -4.5002    0.0000 C   0  0
    9.0981   -3.7506    0.0000 C   0  0
    9.0985   -2.2506    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7988    3.0002    0.0000 N   0  0
    9.0981    2.2506    0.0000 C   0  0
    9.0985    0.7506    0.0000 C   0  0
    5.2000    3.0000    0.0000 N   0  0
    3.9000    2.2500    0.0000 C   0  0
    3.8990    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3010    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 15  1  0
 17 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 22  1  0
 26 28  1  0
 28  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13329

> <plate>
PLATE 005

> <well>
B9

> <supplier_cmpd_name>
SB1317 hydrochloride (937270-47-8(free base))

> <ctcr_id>
11554

> <supplier_cmpd_id>
T4227

> <smiles>
CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1

> <pd_targets>
{CSF1R,JAK1,CDK1,JAK2,CDK5,TYK2,FLT3,CDK3,CYP2D6,CDK9,CCNK,CCNE1,CDK2,CDK5R1,CCNA1,CCNA2,CCNB1,CCNH,CDK7,MNAT1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","TK protein kinase group","CMGC protein kinase group","Cytochrome P450 family 2D","Tyrosine protein kinase PDGFR family","T
yrosine protein kinase JakA family","CMGC protein kinase CDK family","Cytochrome P450 2D6","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK9 subfamily
","CMGC protein kinase CDK7 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","TK: Tyrosi
ne kinase","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK1 subfamily","CDK5 subfamily","CDK9 subfamily","CDK7 subfamily","Type I
II RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Cell Cycle","Signal Transduction",Metabolism,Disease,"RNA Polymerase II Transcription","Cytokine Signaling in Immune system",Mitotic,"Signaling by R
eceptor Tyrosine Kinases","Biological oxidations","Infectious disease","Generic Transcription Pathway","Interferon Signaling","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition",
"Signaling by Insulin receptor","Phase I - Functionalization of compounds","HIV Infection","Transcriptional Regulation by VENTX","Antiviral mechanism by IFN-stimulated genes","APC/C-mediated degradati
on of cell cycle proteins","G1 Phase","Transcriptional Regulation by TP53","Interferon alpha/beta signaling","Insulin receptor signalling cascade","Cytochrome P450 - arranged by substrate type","HIV L
ife Cycle","ISG15 antiviral mechanism","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events in G1","Regulation of TP53 Activity","Regulation of IF
NA signaling","IRS-mediated signalling",Xenobiotics,"Late Phase of HIV Life Cycle","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Phosphorylation","PI3K Ca
scade","CYP2E1 reactions","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycl
e checkpoint","HIV Transcription Elongation","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV
-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK1,CDK2,CDK7,CDK9,FLT3,JAK2}

> <broad_moa>
{"CDK inhibitor","FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{SB1317,TG02,937270-47-8,937270478,Zotiraciclib,TG-02,SB-1317,EX45,CHEMBL1944698,UNII-40D08182TT,UNII40D08182TT,1204918-72-8,1204918728,40D08182TT,"TG02 (SB1317)","Zotiraciclib (USAN)",C23H24N4O,Tube0
11,"SB-1317 free base","SB1317 free base",SCHEMBL823947,"TG02 (WHO-DD)","TG02 (WHODD)",GTPL9095,SCHEMBL2298965,SCHEMBL1,T4227,T2653,"SB1317 hydrochloride (937270-47-8(free base))"}

> <pdid>
PD012633

> <targets>
{CDK2,FLT3,JAK2,CDK,JAK}

> <classes>
{Angiogenesis,Cell Cycle/Checkpoint,Chromatin/Epigenetic,Tyrosine Kinase/Adaptors,JAK/STAT signaling,Stem Cells,Cell Cycle/DNA Damage,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Ce
ll/Wnt}

> <pubchem_cids>
{16739650}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5447   -7.0216    0.0000 F   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 F   0  0
    1.0449   -7.0186    0.0000 F   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 N   0  0
    2.5764    7.5048    0.0000 C   0  0
    1.2730    8.2489    0.0000 C   0  0
    1.2625    9.7489    0.0000 C   0  0
   -0.0417   10.4898    0.0000 C   0  0
   -1.3355    9.7309    0.0000 C   0  0
   -2.7644   10.1845    0.0000 N   0  0
   -3.6377    8.9649    0.0000 C   0  0
   -2.7476    7.7575    0.0000 C   0  0
   -1.3251    8.2309    0.0000 C   0  0
   -0.0209    7.4899    0.0000 C   0  0
   -5.1359    8.9545    0.0000 C   0  0
   -6.6358    8.9442    0.0000 N   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
 23 24  2  0
 24 16  1  0
 21 25  1  0
 25 26  3  0
 14 27  1  0
 27 28  1  0
 28 11  1  0
  9 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32  8  1  0
 32 33  1  0
 33  6  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13330

> <plate>
PLATE 005

> <well>
B10

> <supplier_cmpd_name>
MI-136

> <ctcr_id>
8213

> <supplier_cmpd_id>
T6889

> <smiles>
FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc5[nH]c(cc5c4)C#N)CC3)ncnc2s1

> <pd_targets>
{MEN1,KMT2A}

> <pathway_gtopdb>
{"Unclassified protein","Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","SMAD2/SMAD3:SMAD4 heterotrimer regula
tes transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{I13,MI-136,MI136,1628316-74-4,1628316744,CHEMBL3780497,SCHEMBL16030456,BCP20862,EX-A2339,EXA2339,BDBM50156121,s7815,AKOS027423555,"MI 136; MI136",ZINC220641923,CCG-269451,CCG269451,CS-5526,CS5526,AK4
75093,BS-16079,BS16079,HY-19319,HY19319,Q27454240,3XY,T6889,S7815}

> <pdid>
PD071600

> <targets>
{"Androgen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{86297077}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   20.7995   -1.4656    0.0000 C   0  0
   19.4989   -0.7183    0.0000 C   0  0
   18.2002   -1.4705    0.0000 C   0  0
   16.8989   -0.7228    0.0000 C   0  0
   15.6002   -1.4751    0.0000 C   0  0
   14.2989   -0.7273    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 20 22  2  3
 22 16  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13331

> <plate>
PLATE 005

> <well>
B11

> <supplier_cmpd_name>
Anacardic Acid

> <ctcr_id>
12485

> <supplier_cmpd_id>
T6389

> <smiles>
CCCCCCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O

> <pd_targets>
{KAT8,KAT5,LOX1.1,SAE1,EP300,REP,KAT2B,LOX1.5,PLCG1,BID,MCL1,BAK1,BCL2L1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein",Reader,Oxidoreductase,Writer,Transferase,"Methyl-lysine/arginine binding protein","Histone acetyltransferase",Chromodomain,"p300/CBP family","GNAT
 family","Other cytosolic protein","Ion channel","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Anti-infective targets","2.3.1.48 Histone acetyltransferases (HATs)","Non-enzymatic BRD containing pro
teins","Viral protein targets","Coronavirus (CoV) proteins","Glycerophospholipid turnover","Phosphoinositide-specific phospholipase C"}

> <pathway_reactome>
{"Chromatin organization","DNA Repair","Metabolism of proteins","Gene expression (Transcription)",Disease,"Chromatin modifying enzymes","DNA Double-Strand Break Repair","Post-translational protein mod
ification","RNA Polymerase II Transcription","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","HATs acetylate histones","Homology Directed Repair
",SUMOylation,"Generic Transcription Pathway","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Processing and activa
tion of SUMO","Transcriptional Regulation by TP53","SARS-CoV-2 Infection","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","HDR through Homologous Recombination (HRR)","SUMO is conjugated to E1 
(UBA2:SAE1)","Regulation of TP53 Activity","SARS-CoV-2 Genome Replication and Transcription","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Homologous DNA Pairing and Strand Exchange","Reg
ulation of TP53 Activity through Acetylation","Replication of the SARS-CoV-2 genome","Presynaptic phase of homologous DNA pairing and strand exchange","PI5P Regulates TP53 Acetylation","Leishmania inf
ection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","FCGR3A-mediated IL10 synthesis"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ANACARDIC ACID",16611-84-0,16611840,"6-Pentadecylsalicylic acid","6Pentadecylsalicylic acid","2-Hydroxy-6-pentadecylbenzoic acid","2Hydroxy6pentadecylbenzoic acid","2-Hydroxy-6-pentadecyl-benzoic ac
id","Hydroginkgolic acid","Ginkgolic acid C15:0","22:0-Anacardic acid","22:0Anacardic acid","(15:0)-Anacardic acid","(15:0)Anacardic acid","Benzoic acid",T6S2122,T6389,"Ginkgolic acid C13:0","Anacardi
c Acid"}

> <pdid>
PD016809

> <targets>
{"Histone Acetyltransferase","PCAF(p300/CBP-associated factor)","p300 histone acetylatransferase",p300/CBP}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{167551}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 43 48  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3509   -2.2515    0.0000 N   0  0
    7.3549   -3.3660    0.0000 C   0  0
    8.8220   -3.0539    0.0000 C   0  0
    9.2853   -1.6272    0.0000 N   0  0
    8.2815   -0.5127    0.0000 C   0  0
    6.8143   -0.8248    0.0000 C   0  0
   10.7532   -1.3150    0.0000 C   0  0
   11.2144    0.1125    0.0000 C   0  0
   12.6811    0.4269    0.0000 C   0  0
   13.6867   -0.6861    0.0000 C   0  0
   13.2257   -2.1135    0.0000 C   0  0
   11.7590   -2.4279    0.0000 C   0  0
   11.2978   -3.8560    0.0000 C   0  0
    9.8316   -4.1729    0.0000 C   0  0
    9.3728   -5.6010    0.0000 C   0  0
   10.3802   -6.7124    0.0000 C   0  0
   11.8464   -6.3956    0.0000 C   0  0
   12.3052   -4.9675    0.0000 C   0  0
   12.8544   -7.5076    0.0000 C   0  0
   13.8618   -8.6189    0.0000 N   0  0
    7.9065   -5.9210    0.0000 C   0  0
    6.8971   -4.8114    0.0000 O   0  0
    7.4495   -7.3506    0.0000 N   0  0
    5.9832   -7.6705    0.0000 C   0  0
    5.5262   -9.1001    0.0000 C   0  0
    4.0599   -9.4201    0.0000 C   0  0
    3.6030  -10.8496    0.0000 N   0  0
    2.1862  -11.3021    0.0000 C   0  0
    2.1964  -12.8020    0.0000 C   0  0
    3.6261  -13.2558    0.0000 C   0  0
    4.4995  -12.0363    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  4 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  3  0
 27 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 39  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13332

> <plate>
PLATE 005

> <well>
C2

> <supplier_cmpd_name>
LLY-507

> <ctcr_id>
12574

> <supplier_cmpd_id>
T6879

> <smiles>
Cc1cn(c2ccccc12)CCN1CCN(CC1)c1ccccc1c1cc(cc(c1)C#N)C(=O)NCCCN1CCCC1

> <pd_targets>
{SMYD2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","SET domain"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LY50,LLY-507,LLY507,1793053-37-8,1793053378,CHEMBL3414623,GTPL8239,SCHEMBL19760400,EX-A899,EXA899,"LLY 507",AMY18779,BCP17114,BDBM50075102,MFCD28902312,s7575,AKOS027470175,ZINC231558920,CCG-270110,CC
G270110,CS-5126,CS5126,NCGC00356417-04,NCGC0035641704,NCGC00356417-06,NCGC0035641706,AC-29059,AC29059,AK547562,HY-19313,HY19313,LLY-5,LLY5,T6879}

> <pdid>
PD000037

> <targets>
{SMYD2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{91623361}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -3.9074    8.2480    0.0000 C   0  0
   -5.2054    7.4961    0.0000 O   0  0
   -3.9101    9.7480    0.0000 O   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -1.3071    9.7503    0.0000 O   0  0
   -0.0080    7.5003    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 13  1  0
  2 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13333

> <plate>
PLATE 005

> <well>
C3

> <supplier_cmpd_name>
OSS_128167

> <ctcr_id>
12752

> <supplier_cmpd_id>
T4328

> <smiles>
O=C(Nc1cc(ccc1)C(=O)Nc2cc(C(=O)O)c(O)cc2)c3ccco3

> <pd_targets>
{SIRT6,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Eraser,"Nuclear receptor","Histone deacetylase","Nuclear hormone receptor subfamily 1","HDAC class III","Nuclear hormone receptor subfamily 1 group F","N
uclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","3.5.1.- Histone deacetylases (HDACs)","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Homology Directed Repair","Generic Transcription Pathway","HDR through Homologous Re
combination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Processing of DNA double-strand break ends","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SS12816,SS-12816,"SS 12816",887686-02-4,887686024,OSS_128167,OSS128167,OSS-128167,"OSS 128167","5-(3-(Furan-2-carboxamido)benzamido)-2-hydroxybenzoic acid","5(3(Furan2carboxamido)benzamido)2hydroxybe
nzoic acid",CHEMBL1588664,MLS001208603,SCHEMBL16179714,HMS2819N24,BCP28960,EX-A3569,EXA3569,ZINC4945038,"5-((3-(furan-2-carbonylamino)benzoyl)amino)-2-hydroxybenzoic aci","5((3(furan2carbonylamino)ben
zoyl)amino)2hydroxybenzoic aci",T4328}

> <pdid>
PD078499

> <targets>
{SIRT6,SIRT2,SIRT1,HBV,Sirtuin}

> <classes>
{Chromatin/Epigenetic,Anti-infection,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{6496840}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
   14.1445    0.8197    0.0000 Cl  0  0
   11.6445    0.8197    0.0000 Cl  0  0
    9.1437    4.9349    0.0000 C   0  0
    7.7193    4.4647    0.0000 N   0  0
    7.4132    2.9954    0.0000 C   0  0
    5.9880    2.5249    0.0000 C   0  0
    5.6819    1.0557    0.0000 N   0  0
    6.8010    0.0568    0.0000 C   0  0
    4.2567    0.5852    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0  1  0  0  0
   -5.3046    1.1546    0.0000 C   0  0
   -5.6877   -0.2956    0.0000 C   0  0  2  0  0  0
   -6.9812   -1.0448    0.0000 O   0  0
   -8.2825   -0.2971    0.0000 C   0  0
   -9.5812   -1.0493    0.0000 C   0  0
  -10.8824   -0.3015    0.0000 C   0  0
  -12.1815   -1.0515    0.0000 C   0  0
  -13.4806   -0.3015    0.0000 C   0  0
  -13.4806    1.1985    0.0000 O   0  0
  -12.1816    1.9485    0.0000 C   0  0
  -10.8825    1.1985    0.0000 C   0  0
   -4.2375   -0.6788    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 22 21  1  6
 22 23  1  0
 23 24  1  0
 24 25  1  1
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 24 34  1  0
 34 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13334

> <plate>
PLATE 005

> <well>
C4

> <supplier_cmpd_name>
EPZ020411 2HCl (1700663-41-7(free base))

> <ctcr_id>
12472

> <supplier_cmpd_id>
T4334

> <smiles>
Cl.Cl.CNCCN(C)Cc1cnnc1c2ccc(cc2)O[C@H]4C[C@H](OCCC3CCOCC3)C4

> <pd_targets>
{PRMT8,PRMT6,PRMT1}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","Transcriptional Regulation by TP53","RUNX1 regulates genes i
nvolved in megakaryocyte differentiation and platelet function","TP53 Regulates Transcription of Cell Cycle Genes","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest"}

> <broad_targets>
{PRMT6}

> <broad_moa>
{"protein arginine N-methyltransferase inhibitor"}

> <synonyms>
{"095432474 (2HCL","2095432-47-4 (2HCl)","2095432474 (2HCl)","EPZ020411 2HCl","EPZ020411 Dihydrochloride","1700663-41-7(free base)","1700663417(free base)",s7820,CCG-269814,CCG269814,2095432-47-4,2095
432474,T4334,"EPZ020411 2HCl (1700663-41-7(free base))"}

> <pdid>
PD044017

> <targets>
{PRMT6,PRMT1,PRMT8}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{129896715}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    9.1168    9.2901    0.0000 C   0  0
    7.6256    9.1281    0.0000 C   0  0
    6.7396   10.3385    0.0000 C   0  0
    5.2484   10.1764    0.0000 C   0  0
    4.3625   11.3868    0.0000 C   0  0
    4.6431    8.8040    0.0000 N   0  0
    5.5290    7.5935    0.0000 C   0  0
    4.9262    6.2190    0.0000 S   0  0
    5.8143    5.0092    0.0000 C   0  0
    5.2115    3.6348    0.0000 C   0  0
    3.7206    3.4702    0.0000 O   0  0
    6.0996    2.4249    0.0000 N   0  0
    5.4979    1.0528    0.0000 C   0  0
    6.2524   -0.2436    0.0000 N   0  0
    5.2526   -1.3618    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.0317    0.7359    0.0000 S   0  0
    7.0203    7.7556    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 18  1  0
 27 22  1  0
 16 28  1  0
 28 13  1  0
  7 29  2  0
 29  2  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13335

> <plate>
PLATE 005

> <well>
C5

> <supplier_cmpd_name>
SirReal2

> <ctcr_id>
11662

> <supplier_cmpd_id>
T6984

> <smiles>
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1

> <pd_targets>
{SIRT2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT2}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{SirReal2,709002-46-0,709002460,"SirReal 2",CHEMBL3770903,C22H20N4OS2,1848251-24-0,1848251240,SirReal-2,3TE,SCHEMBL20609259,"SirReal2, >=98 (HPLC)",ZINC818861,BDBM50148781,s7845,STL019057,AKOS00065121
6,CCG-268892,CCG268892,MCULE-6908094772,MCULE6908094772,NCGC00387496-01,NCGC0038749601,NCGC00387496-03,NCGC0038749603,HY-100,HY100,T6984}

> <pdid>
PD016464

> <targets>
{SIRT2}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{1096292}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -5.1047    0.0031    0.0000 C   0  0
   -5.8570   -1.2946    0.0000 N   0  0
   -5.8532    1.3039    0.0000 N   0  0
   -7.3541    1.3070    0.0000 C   0  0
   -8.1041    2.6061    0.0000 C   0  0
   -9.6041    2.6061    0.0000 C   0  0
  -10.3542    1.3071    0.0000 S   0  0
  -11.0732    2.6235    0.0000 O   0  0
  -11.0735   -0.0091    0.0000 O   0  0
   -9.6042    0.0081    0.0000 C   0  0
   -8.1042    0.0080    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    2.5940    6.0054    0.0000 C   0  0
    3.8947    5.2583    0.0000 F   0  0
    2.5911    7.5054    0.0000 F   0  0
    3.8915    6.7581    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
 20 21  1  0
 21 14  1  0
  7 22  1  0
 22  3  1  0
 22 23  2  0
  5 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13336

> <plate>
PLATE 005

> <well>
C6

> <supplier_cmpd_name>
I-BRD9

> <ctcr_id>
12487

> <supplier_cmpd_id>
T6859

> <smiles>
CCn1cc(c2c(cc(s2)C(=N)NC2CCS(=O)(=O)CC2)c1=O)c1cc(ccc1)C(F)(F)F

> <pd_targets>
{BRD9,BRD7,BRD4}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","Transcriptional Regulation by TP53","Potential 
therapeutics for SARS","Regulation of TP53 Activity","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{BRD9}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{BRD,I-BRD9,IBRD9,1714146-59-4,1714146594,GSK602,CHEMBL3769507,H1B,"compound 45 (PMID 25856009)",GTPL8397,"I-BRD9 (GSK602)","IBRD9 (GSK602)",SCHEMBL21259435,SCHEMBL21752089,BCP17832,EX-A1639,EXA1639,B
DBM50147620,AKOS027423696,ZINC231374665,CCG-269672,CCG269672,CS-5587,CS5587,"I-BRD9, >=98 (HPLC)","IBRD9, >=98 (HPLC)",SB19813,AK4752,T6859}

> <pdid>
PD000002

> <targets>
{BRD9,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{91668541}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.6004    3.0073    0.0000 O   0  0
    3.8971    3.7613    0.0000 C   0  0
   -0.0041    7.5017    0.0000 C   0  0
    1.2955    8.2523    0.0000 N   0  0
    1.2963    9.7523    0.0000 C   0  0
    2.5945    7.5021    0.0000 C   0  0
   -2.6051    5.9945    0.0000 O   0  0
   -3.9019    5.2406    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  2  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  5  1  0
  4 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 16 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 15 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13337

> <plate>
PLATE 005

> <well>
C7

> <supplier_cmpd_name>
BI-9564

> <ctcr_id>
12491

> <supplier_cmpd_id>
T6786

> <smiles>
Cn1cc(c2c(c1=O)cncc2)c1cc(c(cc1OC)CN(C)C)OC

> <pd_targets>
{BRD9,BRD7,ACVR1,CYP2D6,ACVR2B,TGFBR1,CECR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Kinase,"Cytochrome P450",Bromodomain,"Protein Kinase","Cytochrome P450 family 2","TKL protein kinase group","Cytochrome P450 family 2D","TKL protein kinase STKR f
amily","Cytochrome P450 2D6","TKL protein kinase STKR1","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Chromatin modifying enzymes","Catalytic receptors","Cytochrome P450","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Receptor
 kinases","CYP2 family: drug metabolising subset","Non-enzymatic BRD containing proteins","Bromodomain kinase (BRDK) family","TKL: Tyrosine kinase-like","Receptor serine/threonine kinase (RSTK) family
","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Developmental Biology",Disease,"RNA Polymerase II Transcription","Biological oxidations","Signaling by NODAL","Diseases of signal transduction by growth 
factor receptors and second messengers","Generic Transcription Pathway","Phase I - Functionalization of compounds","Regulation of signaling by NODAL","Signaling by TGF-beta Receptor Complex in Cancer"
,"Transcriptional Regulation by TP53","Cytochrome P450 - arranged by substrate type","Loss of Function of SMAD2/3 in Cancer","Regulation of TP53 Activity",Xenobiotics,"SMAD2/3 Phosphorylation Motif Mu
tants in Cancer","Regulation of TP53 Activity through Acetylation","CYP2E1 reactions"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{I956,BI-9564,BI9564,1883429-22-8,1883429228,"BI 9564",CHEMBL3823101,5U6,GTPL8950,SCHEMBL19869872,BCP17135,EX-A1652,EXA1652,BDBM50183449,s8113,AKOS027470219,ZINC526061652,CCG-268067,CCG268067,CS-5888,
CS5888,AK685542,BP-25349,BP25349,BS-15735,BS15735,DS-001715,DS001715,HY-100352,HY100352,"BI-9564, >=97 (HPLC)","BI9564, >=97 (HPLC)",J3.600.898I,T6786}

> <pdid>
PD000024

> <targets>
{BRD9}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{117072549}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2961    5.2539    0.0000 C   0  0
    2.5066    6.1180    0.0000 C   0  0
    2.0381    7.5429    0.0000 C   0  0
    0.5381    7.5377    0.0000 C   0  0
    0.0795    6.1095    0.0000 C   0  0
   -3.8978    0.7496    0.0000 C   0  0
   -3.9002   -0.7505    0.0000 C   0  0
   -5.2005   -1.4984    0.0000 C   0  0
   -6.4983   -0.7463    0.0000 N   0  0
   -6.4959    0.7537    0.0000 C   0  0
   -5.1957    1.5016    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
  9 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13338

> <plate>
PLATE 005

> <well>
C8

> <supplier_cmpd_name>
A-196

> <ctcr_id>
12467

> <supplier_cmpd_id>
T4343

> <smiles>
Clc1cc3c(cc1Cl)c(nnc3NC2CCCC2)c4ccncc4

> <pd_targets>
{KMT5B,KMT5C}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Chromatin organization","Chromatin modifying enzymes","PKMTs methylate histone lysines"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{A-196,A196,1982372-88-2,1982372882,"6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine","6,7dichloroNcyclopentyl4(pyridin4yl)phthalazin1amine","A 196","SGC A-196","SGC A196","Cyclopentyl-(
6,7-dichloro-4-pyridin-4-yl-phthalazin-1-yl)-amine","Cyclopentyl(6,7dichloro4pyridin4ylphthalazin1yl)amine",GTPL8949,CHEMBL4521971,SCHEMBL17968181,BDBM223981,EX-A4473,EXA4473,s7983,AKOS032945052,Z,T43
43}

> <pdid>
PD000034

> <targets>
{SUV420H1,SUV420H2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{117072548}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 O   0  0
   -9.0976    5.2432    0.0000 C   0  0
   -7.7986    5.9932    0.0000 C   0  0
   -6.4995    5.2432    0.0000 O   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  2  1  0
 11 12  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  2  0
 25 16  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13339

> <plate>
PLATE 005

> <well>
C9

> <supplier_cmpd_name>
CeMMEC1

> <ctcr_id>
11848

> <supplier_cmpd_id>
T4345

> <smiles>
O=C2c1ccccc1C(=CN2C)C(=O)Nc3ccc4OCCOc4c3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CeMMEC1,440662-09-9,440662099,Oprea1_520920,Oprea1520920,Oprea1-520920,"Oprea1 520920",SCHEMBL20942542,BCP19839,EX-A1815,EXA1815,EiM08-22966,EiM0822966,STL155079,ZINC61721436,AKOS005754739,MCULE-8982
620217,MCULE8982620217,HY-111445,HY111445,CS-0040872,CS0040872,T4345}

> <pdid>
PD044150

> <targets>
{BRD4,TAF1,DNA/RNA Synthesis,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Metabolism,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{24152379}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    4.2146   -6.5095    0.0000 N   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 N   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
    0.9498   -6.4949    0.0000 C   0  0
    1.5527   -7.8684    0.0000 O   0  0
   -0.5420   -6.3307    0.0000 C   0  0
   -1.4322   -7.5380    0.0000 C   0  0
   -0.8317   -8.9126    0.0000 F   0  0
   -2.9229   -7.3709    0.0000 C   0  0
   -3.5234   -5.9963    0.0000 C   0  0
   -2.6333   -4.7890    0.0000 C   0  0
   -1.1427   -4.9561    0.0000 C   0  0
   -0.2526   -3.7487    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
 12 15  2  0
  4 16  2  0
 16 17  1  0
 17  2  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13340

> <plate>
PLATE 005

> <well>
C10

> <supplier_cmpd_name>
JNJ-7706621

> <ctcr_id>
6196

> <supplier_cmpd_id>
T6126

> <smiles>
Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)c3c(F)cccc3F

> <pd_targets>
{STK26,MAP4K2,RIOK1,ALK,MYLK,RIOK3,SRPK1,ACVR1,CLK3,BRSK1,BRSK2,CSNK1G1,PAK4,PLK1,KIT,JAK2,JAK3,CLK1,TYK2,FLT3,FLT4,CSNK1G2,MARK3,MAP2K1,MAP2K2,ABL1,AURKA,CCNB1,CCNB2,CCNB3,CDK1,MAPK1,MAPK3,KDR,RET,FG
FR1,ROCK1,AURKB,DMPK,TEC,STK16,PRKCD,JAK1,TLK1,CDK16,PDGFRA,PDGFRB,MARK4,TNK1,MET,CLK4,EPHA7,MAPK7,PRKD3,CDK7,STK4,MAP4K1,TEK,MAPK10,SIK1,DCLK3,MAPK6,GSK3B,NUAK1,FGFR3,MARK2,MARK1,MAP2K4,CSF1R,TESK1,F
LT1,MAPK15,BMP2K,MERTK,STK3,TIE1,TNNI3K,CDK5,MAPK8,FGFR2,SYK,DCLK2,MAPK4,NUAK2,AAK1,PRKAA2,CDK2,TTK,LIMK1,MELK,GAK,ACVRL1,LIMK2,CDK18,TLK2,MAP2K3,PRKAA1,CCND1,CDK4,CSNK1D,MAP3K9,ACVR2A,COQ8A,PAK5,PDPK
1,EIF2AK2,RPS6KA1,RPS6KA3,RPS6KA4,PIP4K2B,PKN2,ACVR2B,BMX,MAP2K6,RPS6KA2,AXL,MAP4K5,CLK2,CDK9,RIPK1,PLK3,ANKK1,CAMKK1,CAMKK2,CSNK1E,PRKCQ,STK25,IKBKE,STK10,PRKD1,CDK11A,BMPR2,SLK,DCLK1,GSK3A,CSNK2A2,S
IK2,CCNA1,CCNA2,ROS1,MST1R,PIP5K1A,PAK6,PAK3,CDK17,CSNK1G3,TYRO3,EIF2AK4,CDK11B,CDK3,MAP3K12,CDK14,STK17A,LRRK2,ROCK2,AURKC,DAPK3,EPHA6,PLK4,FGR,CSNK1A1,IRAK3,LCK,STK24,NTRK2,GRK5,TAOK1,MAP4K3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","Atypical protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","CK1 protein kinase group"
,"Other protein kinase group","TK protein kinase group","AGC protein kinase group","STE protein kinase STE20 family","Atypical protein kinase RIO family","TKL protein kinase STKR family","CAMK protein
 kinase MLCK family","CMGC protein kinase SRPK family","CMGC protein kinase CLK family","CAMK protein kinase CAMK1 family","CK1 protein kinase CK1 family","Other protein kinase PLK family","Tyrosine p
rotein kinase PDGFR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase VEGFR family","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","Other protein kinase AUR
 family","CMGC protein kinase CDK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","AGC protein kinase DMPK family","Tyrosine protei
n kinase Tec family","Other protein kinase NAK family","AGC protein kinase PKC family","Other protein kinase TLK family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Met family","Tyro
sine protein kinase Eph family","CAMK protein kinase PKD family","Tyrosine protein kinase Tie family","CAMK protein kinase DCAMK1 family","CMGC protein kinase GSK family","TKL protein kinase LISK fami
ly","Tyrosine protein kinase Axl family","TKL protein kinase MLK family","Tyrosine protein kinase Syk family","Other protein kinase TTK family","AGC protein kinase PDK1 subfamily","Other protein kinas
e PEK family","AGC protein kinase RSK family","AGC protein kinase PKN family","TKL protein kinase RIPK family","Other protein kinase CAMKK family","Other protein kinase CK2 family","Tyrosine protein k
inase Sev family","CAMK protein kinase DAPK family","TKL protein kinase LRRK family","Tyrosine protein kinase Src family","TKL protein kinase IRAK family","Tyrosine protein kinase Trk family","AGC pro
tein kinase GRK family","STE protein kinase YSK subfamily","STE protein kinase KHS subfamily","Atypical protein kinase RIO1 subfamily","TKL protein kinase STKR Type 1 subfamily","Atypical protein kina
se RIO3 subfamily","TKL protein kinase STKR1","CAMK protein kinase BRSK subfamily","STE protein kinase PAKB subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase CDC2 subfamily","CMGC p
rotein kinase ERK1","AGC protein kinase ROCK subfamily","AGC protein kinase GEK subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase ERK5","CM
GC protein kinase CDK7 subfamily","STE protein kinase MST subfamily","CMGC protein kinase JNK subfamily","CAMK protein kinase QIK subfamily","CMGC protein kinase ERK3","CAMK protein kinase NuaK subfam
ily","TKL protein kinase TESK subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase CDK5 subfamily","CAMK protein kinase AMPK subfamily","TKL protein kinase LIMK subfamily","CAMK protei
n kinase MELK subfamily","CMGC protein kinase PCTAIRE","TKL protein kinase MLK subfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase PKR","AGC protein kinase RSK subfamily","AGC 
protein kinase MSK subfamily","CMGC protein kinase CDK9 subfamily","Other protein kinase Meta subfamily","STE protein kinase SLK subfamily","CMGC protein kinase PITSLRE subfamily","STE protein kinase 
PAKA subfamily","CK1 protein kinase CK1-g","Other protein kinase GCN2 subfamily","CMGC protein kinase PFTAIRE","AGC protein kinase GRK subfamily","STE protein kinase TAO subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"Receptor kinases","CAMK: Calcium/calmodulin-dependent pro
tein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases","STE20 family","RIO family","TK: Tyrosine kinase
","Myosin Light Chain Kinase (MLCK) family","SRPK family","TKL: Tyrosine kinase-like","CLK family","CAMK-like (CAMKL) family","Casein kinase 1 (CK1) family","Other protein kinases","STE7 family","DMPK
 family","Protein kinase C (PKC) family","Cyclin-dependent kinase (CDK) family","Mitogen-activated protein kinases (MAP kinases)","Protein kinase D (PKD) family","DCAMKL family","Glycogen synthase kin
ase (GSK) family","ABC1 family","PDK1 family","RSK family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase N (PKN) family","Type I PIP kinases (1-phosphatidy
linositol-4-phosphate 5-kinase family)","Death-associated kinase (DAPK) family","G protein-coupled receptor kinases (GRKs)","YSK subfamily","KHS subfamily","RIO1 subfamily","Receptor tyrosine kinases 
(RTKs)","RIO3 subfamily","Receptor serine/threonine kinase (RSTK) family","BRSK subfamily","PAKB subfamily","Polo-like kinase (PLK) family","Non-receptor tyrosine kinases (nRTKs)","MARK subfamily","Au
rora kinase (Aur) family","Rho kinase","GEK subfamily","NAK family","Delta subfamily","Tousled-like kinase (TLK) family","TAIRE subfamily","ERK subfamily","CDK7 subfamily","MST subfamily","JNK subfami
ly","QIK subfamily","GSK subfamily","NuaK subfamily","LIM domain kinase (LISK) family","Erk7 subfamily","Numb-associated kinase (NAK) family","Mixed Lineage Kinase (MLK) family","CDK5 subfamily","AMPK
 subfamily","CDK1 subfamily","TTK family","MELK subfamily","ABC1-B subfamily","PEK family","RSK subfamily","MSK subfamily","CDK9 subfamily","Receptor interacting protein kinase (RIPK) family","CAMKK f
amily","IKK family","SLK subfamily","PITSLRE subfamily","Casein kinase 2 (CK2) family","PAKA subfamily","Leucine-rich repeat kinase (LRRK) family","Interleukin-1 receptor-associated kinase (IRAK) fami
ly","GRK4 subfamily","TAO subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I receptor serine/threonine kinases","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family",
"Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family","
Tec family","Ack family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type XII RTKs: TIE family of angiopoietin receptors","TESK subfamily","
Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","HH498 subfamily","Syk family","LIMK subfamily","MLK subfamily","Type II receptor serine/threonine kinases","Other PEK family kinases","Me
ta subfamily","Type XVII RTKs: ROS receptors","GCN2 subfamily","LZK subfamily","Src family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{"Programmed Cell Death","Metabolism of RNA","Signal Transduction","Developmental Biology","Cell Cycle",Disease,"Immune System",Metabolism,"Gene expression (Transcription)","Muscle contraction","Organ
elle biogenesis and maintenance","Circadian Clock","Cell-Cell communication",Hemostasis,"Vesicle-mediated transport","Neuronal System","Cellular responses to external stimuli",Apoptosis,"rRNA processi
ng","Signaling by Rho GTPases","Nervous system development",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Signaling 
by Receptor Tyrosine Kinases","Metabolism of lipids","Infectious disease","RNA Polymerase II Transcription","Cardiac conduction","Intracellular signaling by second messengers","Cilium Assembly","Innat
e Immune System","Signaling by Hippo","MAPK family signaling cascades","Cell junction organization","Cell surface interactions at the vascular wall","Membrane Trafficking","Signaling by TGFB family me
mbers","Signaling by NODAL","Transmission across Chemical Synapses","Signaling by GPCR","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Apoptotic execution phase","rRNA pr
ocessing in the nucleus and cytosol","RHO GTPase Effectors","Axon guidance","Mitotic G2-G2/M phases","Signaling by KIT in disease","Mitotic G1 phase and G1/S transition","Signaling by Interleukins","I
nterferon Signaling","Signaling by Insulin receptor","Signaling by VEGF","Sphingolipid metabolism","Oncogenic MAPK signaling","Signaling by NTRKs","Leishmania infection","Generic Transcription Pathway
","Signaling by FGFR in disease","M Phase","Ion homeostasis","DAG and IP3 signaling","Signaling by PDGFR in disease","PIP3 activates AKT signaling","Anchoring of the basal body to the plasma membrane"
,"Toll-like Receptor Cascades","HIV Infection","MAPK1/MAPK3 signaling","MAPK6/MAPK4 signaling","SARS-CoV Infections","Cell-extracellular matrix interactions","Clathrin-mediated endocytosis","Regulatio
n of mitotic cell cycle","trans-Golgi Network Vesicle Budding","Signaling by BMP","Regulation of signaling by NODAL","Influenza Infection","Phospholipid metabolism","Neurotransmitter receptors and pos
tsynaptic signal transmission","GPCR downstream signalling","Neutrophil degranulation","Signaling by MST1","Response of EIF2AK4 (GCN2) to amino acid deficiency","Signaling by PTK6","Caspase activation
 via extrinsic apoptotic signalling pathway","Apoptotic cleavage of cellular proteins","Major pathway of rRNA processing in the nucleolus and cytosol","RHO GTPases activate PAKs","Signaling by ROBO re
ceptors","G2/M Transition","Drug resistance of KIT mutants","G1 Phase","Interleukin-2 family signaling","Interferon alpha/beta signaling","Insulin receptor signalling cascade","VEGF ligand-receptor in
teractions","Sphingolipid de novo biosynthesis","Signaling by RAS mutants","Signaling by NTRK1 (TRKA)","Parasite infection","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","RET signaling",
"Signaling by FGFR1 in disease","Semaphorin interactions","Mitotic Metaphase and Anaphase",Interleukin-3,"Interleukin-5 and GM-CSF signaling","CaM pathway","Antiviral mechanism by IFN-stimulated genes
","Drug resistance of PDGFR mutants","Negative regulation of the PI3K/AKT network","EPH-Ephrin signaling","Toll Like Receptor 5 (TLR5) Cascade","HIV Life Cycle","RAF/MAP kinase cascade","SARS-CoV-1 In
fection","Signaling by FGFR3 in disease","Transcriptional Regulation by VENTX","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Signaling by FGFR2 in disease","Lei
shmania parasite growth and survival","Cargo recognition for clathrin-mediated endocytosis","APC/C-mediated degradation of cell cycle proteins","Golgi Associated Vesicle Biogenesis","NS1 Mediated Effe
cts on Host Pathways","L1CAM interactions","RHO GTPases activate PKNs","PI Metabolism","Toll Like Receptor 4 (TLR4) Cascade","Activation of NMDA receptors and postsynaptic events","G alpha (i) signall
ing events","PTK6 promotes HIF1A stabilization","Caspase activation via Dependence Receptors in the absence of ligand","Toll Like Receptor 2 (TLR2) Cascade","Host Interactions of HIV factors","G alpha
 (q) signalling events","Activation of RAC1","Centrosome maturation","Dasatinib-resistant KIT mutants","Cyclin D associated events in G1","Interleukin-15 signaling","Regulation of IFNA signaling","IRS
-mediated signalling","VEGF binds to VEGFR leading to receptor dimerization","Signaling downstream of RAS mutants","Signalling to ERKs","Leishmania phagocytosis","Regulation of TP53 Activity","VEGFR2 
mediated cell proliferation","FGFR1 mutant receptor activation","Sema4D in semaphorin signaling","Mitotic Anaphase","Calmodulin induced events","ISG15 antiviral mechanism","Imatinib-resistant PDGFR mu
tants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EPHA-mediated growth cone collapse","MyD88 cascade initiated on plasma membrane","Late Phase of HIV Life Cycle","SARS-CoV-1 Genome Replication 
and Transcription","Signaling by FGFR3 point mutants in cancer","FGFR2 mutant receptor activation","Anti-inflammatory response favouring Leishmania parasite infection","Activation of APC/C and APC/C:C
dc20 mediated degradation of mitotic proteins","Inhibition of PKR","Recycling pathway of L1","Synthesis of PIPs at the plasma membrane","MyD88-independent TLR4 cascade","Post NMDA receptor activation 
events","Visual phototransduction","Ephrin signaling","Toll Like Receptor TLR6:TLR2 Cascade","The role of Nef in HIV-1 replication and disease pathogenesis","Activation of TRKA receptors","Loss of pro
teins required for interphase microtubule organization from the centrosome","PI3K Cascade","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","Regulation of TP53 Activity through Phospho
rylation","Signaling by activated point mutants of FGFR1","Sema4D induced cell migration and growth-cone collapse","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and 
migration","MAP kinase activation","Transcription of the HIV genome","Replication of the SARS-CoV-1 genome","FGFR3 mutant receptor activation","Activated point mutants of FGFR2","FCGR3A-mediated IL10 
synthesis","Regulation of TP53 Expression and Degradation","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Acetylation","TRIF(TICAM1)-mediated TLR4 signalin
g","Activation of RAC1 downstream of NMDARs","Activation of AMPK downstream of NMDARs","The phototransduction cascade","Recruitment of mitotic centrosome proteins and complexes","MyD88:MAL(TIRAP) casc
ade initiated on plasma membrane","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","NGF-independant TRKA activation","Loss of Nlp from mitotic centrosom
es","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","HIV Transcription Elongation","Signaling by activated point mutants of FGFR3","JNK (c-Jun kinases) phosphorylatio
n and  activation mediated by activated human TAK1","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","activate
d TAK1 mediates p38 MAPK activation","PI5P Regulates TP53 Acetylation","IKK complex recruitment mediated by RIP1",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of
 IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","ERK/MAPK targets","Tat-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of transcription factors
","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","CREB phosphorylation","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{AURKA,AURKB,CDK1,CDK2}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{JNJ-7706621,JNJ7706621,443797-96-4,443797964,UNII-74GK72DON8,UNII74GK72DON8,RWJ-387252,RWJ387252,74GK72DON8,CHEMBL191003,"JNJ 7706621","Aurora Kinase/Cdk Inhibitor",3ama,SKE,JNJ-770662,JNJ770662,Kino
me_3748,Kinome3748,Kinome-3748,"Kinome 3748",PubChem22455,cc-474,cc474,MLS006011037,BDBM6866,GTPL5932,SCHEMBL1060773,C15H12F2N6O3S,CHEBI:9,T6126,S1249}

> <pdid>
PD011042

> <targets>
{"Aurora / CDK",CDK,"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{5330790}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 18  0  0  0  0            999 V2000
   20.5999    1.5017    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 C   0  0
    3.9031    2.2508    0.0000 C   0  0
    2.6053    3.0031    0.0000 O   0  0
    5.2032    2.9990    0.0000 O   0  0
   10.3007    0.0004    0.0000 C   0  0
   11.5999    0.7500    0.0000 C   0  0
   12.8999    0.0000    0.0000 C   0  0
   14.1999    0.7500    0.0000 C   0  0
   15.4999    0.0000    0.0000 C   0  0
   16.7999    0.7500    0.0000 C   0  0
   18.0992    0.0004    0.0000 C   0  0
   14.2030    2.2508    0.0000 C   0  0
   12.9053    3.0031    0.0000 O   0  5
   15.5031    2.9990    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2   1   1  20  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13341

> <plate>
PLATE 005

> <well>
C11

> <supplier_cmpd_name>
Divalproex Sodium

> <ctcr_id>
5678

> <supplier_cmpd_id>
T6474

> <smiles>
[Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"DIVALPROEX SODIUM",76584-70-8,76584708,"Valproate semisodium",Epival,Depakote,"Sodium divalproate","Abbott 50711",Valdisoval,"Valproato semisodico",Delepsine,"Semisodium Valproate",Sprinkle,Valcote,
Valparin,Epilex,"Valproate semisodique","Sodium hydrogen d",T6474,S1703,"Divalproex Sodium"}

> <pdid>

> <targets>
{Others,Autophagy}

> <classes>
{Ubiquitin}

> <pubchem_cids>
{23663956,22227467}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5986    0.0004    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8138    3.8602    0.0000 C   0  0
   -3.3512    5.2871    0.0000 C   0  0
   -1.8512    5.2880    0.0000 C   0  0
   -0.9688    6.4989    0.0000 C   0  0
    0.5237    6.3408    0.0000 C   0  0
    1.4076    7.5537    0.0000 C   0  0
    0.7990    8.9247    0.0000 O   0  0
    2.9000    7.3956    0.0000 N   0  0
    3.7835    8.6079    0.0000 O   0  0
   -1.3868    3.8617    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 17 24  2  0
 24 14  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13342

> <plate>
PLATE 005

> <well>
D2

> <supplier_cmpd_name>
Resminostat hydrochloride

> <ctcr_id>
7525

> <supplier_cmpd_id>
T4370

> <smiles>
CN(C)Cc1ccc(cc1)[S](=O)(=O)n2ccc(\C=C\C(=O)NO)c2

> <pd_targets>
{HDAC8,HDAC3,HDAC1,HDAC6}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Gene expression (Transcription)",Mitotic,"Disorders of Developmental Biology","RNA Polymerase II Transcription","M Phase","Disorders of Nervous System Development","Generic Tran
scription Pathway","Mitotic Metaphase and Anaphase","Pervasive developmental disorders","Transcriptional regulation by RUNX2","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","RUNX2 reg
ulates bone development","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differentiati
on"}

> <broad_targets>
{HDAC1,HDAC3,HDAC6,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Resminostat,864814-88-0,864814880,4SC-201,4SC201,RAS2410,"Resminostat (RAS2410)",BYK408740,UNII-1578EUB98L,UNII1578EUB98L,RAS-2410,1578EUB98L,BYK-408740,"Resminostat (INN)",P7D,"4SC 201","Resminostat
 4SC-201","Resminostat 4SC201","Resminostat (4SC-201)","Resminostat (4SC201)",cc-349,cc349,SCHEMBL295540,SCHEMBL295541,GTPL7502,CHEM,T4370,S2693,"Resminostat hydrochloride"}

> <pdid>
PD010883

> <targets>
{HDAC}

> <classes>
{}

> <pubchem_cids>
{11609955}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    6.4915    3.7597    0.0000 C   0  0
    7.7930    3.0141    0.0000 O   0  0
    6.4870    5.2606    0.0000 N   0  0
    7.7840    6.0157    0.0000 N   0  0
    7.7795    7.5165    0.0000 C   0  0
    9.0765    8.2717    0.0000 C   0  0
    9.0719    9.7725    0.0000 C   0  0
   10.3682   10.5272    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  3  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13344

> <plate>
PLATE 005

> <well>
D4

> <supplier_cmpd_name>
SR-4370

> <ctcr_id>
12337

> <supplier_cmpd_id>
T4389

> <smiles>
Fc1c(cccc1F)c2ccc(cc2)C(=O)NNCCCC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{R437,SR-4370,SR4370,1816294-67-3,1816294673,"N'-butyl-2',3'-difluoro-(1,1'-biphenyl)-4-carbohydrazide","N'butyl2',3'difluoro(1,1'biphenyl)4carbohydrazide",SCHEMBL17141703,BCP29031,EX-A1827,EXA1827,s2
132,"SR 4370","SR 4370; SR4370",BS-16146,BS16146,SR-?4370,SR?4370,HY-111400,HY111400,CS-0040447,CS0040447,A16899,C(CCC)NNC(=O)C1=CC=C(C=C1)C1=C(C(=CC=C1)F)F,T4389}

> <pdid>
PD078567

> <targets>
{HDAC1,HDAC2,HDAC3}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{118418385}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.4964    0.7591    0.0000 O   0  0
    6.4990   -0.7409    0.0000 S   0  0
    5.1988    0.0070    0.0000 O   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    7.8034   -2.9887    0.0000 C   0  0
    9.1040   -3.7360    0.0000 C   0  0
   10.4015   -2.9833    0.0000 C   0  0
   10.3984   -1.4833    0.0000 C   0  0
    9.0978   -0.7360    0.0000 C   0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
 14 15  1  0
 10 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
  2 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13345

> <plate>
PLATE 005

> <well>
D5

> <supplier_cmpd_name>
MOZ-IN-3

> <ctcr_id>
13494

> <supplier_cmpd_id>
T4362

> <smiles>
O=S(=O)(NNC(=O)c1cc(cc(C)c1F)c2ccccc2)c3ccccc3

> <pd_targets>
{KAT6A,KAT6B}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.3.1.48 Histone acetyltransferases (HATs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","Chromatin organization","RNA Polymerase II Transcription","Chromatin modifying enzymes","Generic Transcription Pathway","HATs acetylate histones","Transcriptional R
egulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{OZIN,MOZ-IN-3,MOZIN3,WM-8014,WM8014,2055397-18-5,2055397185,CHEMBL4455897,"4-fluoro-5-methyl-N'-(phenylsulfonyl)(1,1'-biphenyl)-3-carbohydrazide","4fluoro5methylN'(phenylsulfonyl)(1,1'biphenyl)3carbo
hydrazide","WM 8014",SCHEMBL20233020,BCP29114,EX-A3385,EXA3385,BDBM50518832,MFCD31630714,s6655,BS-16426,BS16426,SY273942,HY-102060,HY102060,CS-0022886,CS0022886,N'-(benz,N'(benz,T4362}

> <pdid>
PD087022

> <targets>
{MOZ,Histone Acetyltransferase}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{133053564}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8919   -5.2525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4924   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.3339    2.5831    0.0000 C   0  0
   -4.8257    2.7399    0.0000 C   0  0
   -5.7073    1.5263    0.0000 N   0  0
   -7.1991    1.6831    0.0000 C   0  0
   -5.0972    0.1560    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 15  2  0
 21 22  1  0
 22 23  1  0
 23 14  2  0
 23 24  1  0
 24 10  2  3
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13346

> <plate>
PLATE 005

> <well>
D6

> <supplier_cmpd_name>
FL-411

> <ctcr_id>
12503

> <supplier_cmpd_id>
T4365

> <smiles>
Cc1cc(cc(C)c1O)C=2NC(=O)c3c4CCN(C)Cc4sc3N=2

> <pd_targets>
{BRD4,BRD2}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al regulation by RUNX3","RUNX3 regulates p14-ARF"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{L41,FL-411,FL411,2118944-88-8,2118944888,CHEMBL4077274,BRD4-IN-1,BRD4IN1,SCHEMBL22374551,EX-A3383,EXA3383,BDBM50251045,"FL 411",s1027,"FL-411,","FL411,",BS-16486,BS16486,HY-111102,HY111102,AK00779493
,CS-0034229,CS0034229,4V1,T4365}

> <pdid>
PD087018

> <targets>
{BRD4}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{135567026}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2507    0.0000 C   0  0
   -0.0869    6.1125    0.0000 C   0  0
   -0.5527    7.5384    0.0000 C   0  0
   -2.0527    7.5360    0.0000 C   0  0
   -2.5140    6.1087    0.0000 S   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8978    3.7504    0.0000 C   0  0
   -4.0380    5.2310    0.0000 C   0  0
   -5.5058    5.5405    0.0000 C   0  0
   -6.2537    4.2403    0.0000 C   0  0
   -5.2482    3.1272    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 13 19  2  0
 19 20  1  0
 20 21  2  0
 21 11  1  0
 21 22  1  0
 22 23  2  0
 23  9  1  0
 19 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13347

> <plate>
PLATE 005

> <well>
D7

> <supplier_cmpd_name>
Ac-CoA Synthase Inhibitor1

> <ctcr_id>
11862

> <supplier_cmpd_id>
T4380

> <smiles>
COCCNC(=O)Nc2cc3nc(c1cccs1)c(nc3cc2)c4cccs4

> <pd_targets>
{KDM4E,ALD,LMNA,ALDH1A1,MAPT,KMT2A,MEN1,FFP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other nuclear protein","Other cytosolic protein",Eraser,Protease,Oxidoreductase,Reader,Transferase,"Lysine demethylase","Cysteine protease",Bromodomain,"Jumonji domain-
containing","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Neuronal System",Mitotic,"Biological oxidations","Transmission across Chemical Synapses","M Phase","Phase I - Functionalization of compounds","Neurotransmitter receptors and 
postsynaptic signal transmission","Mitotic Metaphase and Anaphase","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Post NMDA receptor activation events",
"Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CCOA SYNTHASE INHIBITOR",508186-14-9,508186149,"1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea","1(2,3Di(thiophen2yl)quinoxalin6yl)3(2methoxyethyl)urea","Ac-CoA Synthase Inhibitor1"
,"AcCoA Synthase Inhibitor1","ACSS2 inhibitor","Ac-COA Synthase Inhibitor","AcCOA Synthase Inhibitor","1-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-(2-methoxyethyl)urea","1(2,3dithiophen2ylquinoxalin6yl)3
(2methoxyethyl)urea","Ac-CoA S","AcCoA S",T4380}

> <pdid>
PD063710

> <targets>
{ACSS2,RSV}

> <classes>
{Metabolism,Chromatin/Epigenetic,Anti-infection}

> <pubchem_cids>
{2300455}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
   -2.1567   -3.7722    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2237   -5.5078    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5003    3.7445    0.0000 C   0  0
   -7.7966    2.9897    0.0000 O   0  0
   -5.4423    4.7147    0.0000 C   0  0
   -6.5058    5.7725    0.0000 C   0  0
   -7.5636    4.7090    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13  7  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13348

> <plate>
PLATE 005

> <well>
D8

> <supplier_cmpd_name>
PF-06409577

> <ctcr_id>
13618

> <supplier_cmpd_id>
T4427

> <smiles>
OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1

> <pd_targets>
{PRKAG1,PRKAA1,PRKAB1,PRKAA2,PDE3A,PRKAB2,PRKAG2,PRKAG3}

> <pathway_gtopdb>
{Enzyme,Kinase,Phosphodiesterase,"Protein kinase regulatory subunit","Protein Kinase","Phosphodiesterase 3","CAMK protein kinase group","Phosphodiesterase 3A","CAMK protein kinase CAMK1 family","CAMK 
protein kinase AMPK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Cyclic nucleotide turnover/signalling","CAMK: Calcium/calmodulin-dependent protein kinases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","CAMK-like (CAMKL) fami
ly","AMPK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by GPCR","Generic Transcription Pathway","GPCR downstream signalling","Transcriptional Regulation 
by TP53","G alpha (s) signalling events","Regulation of TP53 Activity","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
{}

> <broad_moa>
{"protein kinase activator"}

> <synonyms>
{PF-06409577,1467057-23-3,"6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid","6-chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid","PF 06409577",CHEMBL3891221,
SCHEMBL15300744,BDBM237920,BCP32554,EX-A2599,MFCD29917835,s8335,AKOS030211017,ZINC205126451,CCG-267937,CS-8071,SB18863,AK679390,BS-15440,HY-103683,PF06409577,J3.544.439D,A16801,"US9394285, 1","PF-0640
9577, >=98 (HPLC)",Q27456575,"1H-Indole-3-carboxylic acid, 6-chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-","PF06409577; PF 06409577; PF-6409577; PF6409577; PF 6409577",6VT,T4427}

> <pdid>
PD039868

> <targets>
{AMPK ¦Á1¦Â1¦Ã1,AMPK}

> <classes>
{PI3K/Akt/mTOR signaling,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{71748255}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    0.9255    6.6137    0.0000 O   0  0
    2.4129    6.4199    0.0000 C   0  0
    2.9890    5.0368    0.0000 C   0  0
    4.4475    4.6864    0.0000 C   0  0
    4.5650    3.1911    0.0000 C   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 N   0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.1272   -4.3728    0.0000 C   0  0
    6.5954   -4.6799    0.0000 C   0  0
    7.5954   -3.5619    0.0000 C   0  0
    7.1272   -2.1368    0.0000 C   0  0
    5.6590   -1.8298    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.2051    3.7579    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 11  1  0
  9 17  1  0
 17 18  2  3
 18  7  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
  6 23  1  0
 23  3  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13349

> <plate>
PLATE 005

> <well>
D9

> <supplier_cmpd_name>
Lificiguat

> <ctcr_id>
12684

> <supplier_cmpd_id>
T4381

> <smiles>
OCC1=CC=C(C2=NN(CC3=CC=CC=C3)C4=C2C=CC=C4)O1

> <pd_targets>
{HIF1A,HSD17B10,NFO,ALOX15,BLM,HPGD,GMNN,KDM4E,CYP2C19,TP53,NFKB1,PMP22,FFP,CHRM1,CYP3A4,CYP2D6,CYP2C9,PDE5A,ALDH1A1,LMNA,MAPT,NS1,GFER,TGR,CYP1A2,EPAS1,CREBBP,EP300,GUCY1A2,GUCY1B1,GUCY1A1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Other nuclear protein",Oxidoreductase,Hydrolase,Eraser,"Cytochrome P450",Tra
nsferase,"Family A G protein-coupled receptor",Phosphodiesterase,Writer,Lyase,"Lysine demethylase","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Phos
phodiesterase 5","Cytochrome P450 family 1","Histone acetyltransferase","Guanylate cyclase","Jumonji domain-containing","Cytochrome P450 family 2C","Monoamine receptor","Cytochrome P450 family 3A","Cy
tochrome P450 family 2D","Phosphodiesterase 5A","Cytochrome P450 family 1A","p300/CBP family","Soluble guanylate cyclase","Cytochrome P450 2C19","Acetylcholine receptor","Cytochrome P450 3A4","Cytochr
ome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Chromatin modifying enzymes","Cytochrome P450","G protein-coupled receptors","Cyclic nucleotide turnover/signalling","Catalytic receptors",Lipoxygenases,"Pros
taglandin synthases","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","CYP3 family",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","
CYP1 family","Receptor guanylyl cyclase (RGC) family","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"DNA Repair","Cell Cycle","Immune System","Developmental Biology","Signal Transduction",Hemostasis,"Neuronal System","Protein localization","Cellul
ar responses to stress","Metabolism of amino acids and derivatives","Metabolism of lipids","DNA Double-Strand Break Repair",Mitotic,"Biological oxidations","Cell Cycle Checkpoints","Cytokine Signaling
 in Immune system","Nervous system development","Signaling by GPCR","Platelet homeostasis","Transmission across Chemical Synapses","Mitochondrial protein import","Cellular response to hypoxia","Branch
ed-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds"
,"G1/S DNA Damage Checkpoints","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Nitric oxide stimulates guanylate cyclase","M Phase",
"Neurotransmitter receptors and postsynaptic signal transmission","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-derived SPMs","HDR through Homologous 
Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","G1/S Transition","Cytochrome P450 - arranged by substrate type","p53-Dependent G1/S DNA damage checkpoint","In
terleukin-1 family signaling","Class A/1 (Rhodopsin-like receptors)","cGMP effects","Ethanol oxidation","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Biosynt
hesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Activation of the pre-replicative complex",Xenobiotics,"p53-Dependent G1 DNA Damage Response","
Interleukin-1 signaling","Amine ligand-binding receptors","Biosynthesis of maresins","Mitotic Anaphase","Post NMDA receptor activation events","Biosynthesis of DPAn-3-derived protectins and resolvins"
,"Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","Stabilization of p53","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like 
SPMs","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and s
trand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{GUCY1A2,GUCY1A3,GUCY1B3,HIF1A}

> <broad_moa>
{"guanylyl cyclase activator"}

> <synonyms>
{"YC1 compound",yc-1,yc1,Lificiguat,170632-47-0,170632470,"YC 1",3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole,3(5'Hydroxymethyl2'furyl)1benzylindazole,(5-(1-benzyl-1H-indazol-3-yl)furan-2-yl)methano
l,(5(1benzyl1Hindazol3yl)furan2yl)methanol,UNII-515CC1WPTE,UNII515CC1WPTE,154453-18-6,154453186,515CC1WPTE,CHEMBL333985,(5-(1-benzylindazol-3-yl)furan-2-yl)methanol,(5(1benzylindazol3yl)furan2yl)metha
nol,T4381}

> <pdid>
PD002590

> <targets>
{sGC,HIF-1¦Á,Guanylate Cyclase}

> <classes>
{Angiogenesis,GPCR/G Protein}

> <pubchem_cids>
{5712}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 30  0  0  1  0            999 V2000
    8.8982   -3.9162    0.0000 Cl  0  0
    6.3982   -3.9162    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0  2  0  0  0
  -10.4968   -3.7387    0.0000 C   0  0
   -9.7424   -5.0351    0.0000 C   0  0  1  0  0  0
   -9.7132   -6.5356    0.0000 C   0  0
   -8.7717   -7.6766    0.0000 C   0  0
   -9.2949   -9.0825    0.0000 C   0  0
  -10.7739   -9.3323    0.0000 C   0  0
  -11.7298   -8.1764    0.0000 C   0  0
  -11.2067   -6.7705    0.0000 C   0  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 21 20  1  1
 21 22  1  0
 22 23  1  0
 23 21  1  0
 23 24  1  6
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13350

> <plate>
PLATE 005

> <well>
D10

> <supplier_cmpd_name>
GSK2879552 2HCl (1401966-69-5(free base))

> <ctcr_id>
13493

> <supplier_cmpd_id>
T4418

> <smiles>
Cl.Cl.O=C(O)c1ccc(cc1)CN2CCC(CC2)CN[C@@H]4C[C@H]4c3ccccc3

> <pd_targets>
{KDM1A}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Lysine-specific demethylase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{KDM1A}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{"GSK2879552 (dihydrochloride)","GSK2879552 2HCl",SCHEMBL17673946,HY-18632A,HY18632A,s7796,CCG-269092,CCG269092,CS-0086503,CS0086503,T4418,"GSK2879552 2HCl (1401966-69-5(free base))"}

> <pdid>
PD016998

> <targets>
{LSD1}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{121272425}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.9546    1.9903    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
   -1.0096    6.5049    0.0000 C   0  0
    0.4478    6.1498    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.2534    2.1858    0.0000 Cl  0  0
   -4.8211    4.6570    0.0000 C   0  0
   -6.3142    4.8094    0.0000 C   0  0
   -6.9296    6.1782    0.0000 C   0  0
   -8.3884    6.4678    0.0000 N   0  0
   -8.5476    7.9593    0.0000 N   0  0
   -7.1783    8.5716    0.0000 C   0  0
   -6.1728    7.4585    0.0000 O   0  0
   -6.8686   10.0401    0.0000 C   0  0
   -7.9036   11.1189    0.0000 C   0  0
   -7.4845   12.5592    0.0000 C   0  0
   -6.0277   12.9164    0.0000 C   0  0
   -4.9899   11.8334    0.0000 C   0  0
   -5.4090   10.3931    0.0000 C   0  0
   -5.6084   14.3575    0.0000 C   0  0
   -5.1893   15.7977    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 14 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  1  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 33 36  1  0
 36 37  3  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13351

> <plate>
PLATE 005

> <well>
D11

> <supplier_cmpd_name>
G007-LK

> <ctcr_id>
11868

> <supplier_cmpd_id>
T6842

> <smiles>
CS(=O)(=O)c1cnc(cc1)c1nnc(n1c1ccccc1Cl)/C=C/c1nnc(o1)c1ccc(cc1)C#N

> <pd_targets>
{TNKS2,TNKS}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN stability and activity"}

> <broad_targets>
{TNKS,TNKS2}

> <broad_moa>
{"tankyrase inhibitor"}

> <synonyms>
{007L,G007-LK,G007LK,1380672-07-0,1380672070,CHEMBL2325503,4hyf,C25H16ClN7O3S,SCHEMBL9904844,SCHEMBL9904845,AOB4444,EX-A656,EXA656,"G007 LK;G007LK",G-007-LK,3686AH,BDBM50427989,s7239,ZINC95582938,CCG-
269912,CCG269912,NCGC00390587-01,NCGC0039058701,AC-33045,AC33045,AS-75199,AS75199,B5830,A1-02247,A102247,J-690154,J690154,Q27451850,1AK,T6842}

> <pdid>
PD012851

> <targets>
{TNKS1,TNKS2}

> <classes>
{Metabolism}

> <pubchem_cids>
{67960134}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    8.8933   -0.7573    0.0000 Cl  0  0
    6.3933   -0.7573    0.0000 Cl  0  0
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13352

> <plate>
PLATE 005

> <well>
E2

> <supplier_cmpd_name>
MS049 2HCl (1502816-23-0(free base))

> <ctcr_id>
12474

> <supplier_cmpd_id>
T4393

> <smiles>
Cl.Cl.CNCCN1CCC(CC1)OCc2ccccc2

> <pd_targets>
{CARM1,SIGMAR1,PRMT8,PRMT6,HRH3}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Writer,"Family A G protein-coupled receptor","Protein methyltransferase","Small molecule receptor (family A GPCR)","Protein arginine methyltransferase","Mon
oamine receptor","Histamine receptor"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"L-Arginine turnover","Sigma receptors","G protein-coupled receptors","2.1.1.- Protein arginine N-methyltransferases","Histamine receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Signal Transduction","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR","Generic Transcription Pathway","SARS-CoV Infections","GPCR 
ligand binding","Transcriptional Regulation by TP53","Potential therapeutics for SARS","Transcriptional regulation by RUNX1","Class A/1 (Rhodopsin-like receptors)","TP53 Regulates Transcription of Cel
l Cycle Genes","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Amine ligand-binding receptors","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle
 Arrest","Histamine receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{2095432-59-8,2095432598,"MS049 hydrochloride","MS049 (hydrochloride)","1502816-23-0(free base)","1502816230(free base)",s8147,CCG-267719,CCG267719,HY-100360A,HY100360A,CS-0086504,CS0086504,"N-methyl-
4-(phenylmethoxy)-1-piperidineethanamine,dihydrochloride","Nmethyl4(phenylmethoxy)1piperidineethanamine,dihydrochloride",T4393,"MS049 2HCl (1502816-23-0(free base))"}

> <pdid>
PD000035

> <targets>
{PRMT4,PRMT6}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{129626588}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1581   -3.7751    0.0000 C   0  0
   -3.1585   -4.8928    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1876    6.0124    0.0000 C   0  0
    6.4892    5.2670    0.0000 C   0  0
    5.1824    7.5124    0.0000 C   0  0
    3.8807    8.2579    0.0000 C   0  0
    3.8755    9.7579    0.0000 C   0  0
    2.5843    7.5034    0.0000 N   0  0
    2.5895    6.0034    0.0000 C   0  0
    1.2931    5.2490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
 14  9  1  0
 12 15  1  0
 15 16  3  0
 10 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 21  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13353

> <plate>
PLATE 005

> <well>
E3

> <supplier_cmpd_name>
EI1

> <ctcr_id>
12548

> <supplier_cmpd_id>
T6484

> <smiles>
CCC(CC)n1ccc2c(cc(cc12)C#N)C(=O)NCc1c(C)cc(C)[nH]c1=O

> <pd_targets>
{EZH2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{1418308-27-6,1418308276,EI1,"EI1; Ezh2 inhibitor",KB-145943,KB145943,"Ezh2 inhibitor;EI-1;EI 1","Ezh2 inhibitor;EI1;EI 1",GTPL7013,SCHEMBL16197843,BCP23699,EX-A2431,EXA2431,2392AH,s7611,ZINC95930191,
CCG-268533,CCG268533,CS-1654,CS1654,SB19343,NCGC00351776-01,NCGC0035177601,NCGC00351776-03,NCGC0035177603,AK547355,AS-55788,AS55788,HY-15573,HY15573,Q27077166,T6484}

> <pdid>
PD012554

> <targets>
{EZH2}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{72199293}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 32 37  0  0  0  0            999 V2000
    4.6580    2.9476    0.0000 C   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8056    3.8679    0.0000 C   0  0
   -3.3372    5.2929    0.0000 C   0  0
   -4.2146    6.5095    0.0000 C   0  0
   -1.8372    5.2877    0.0000 N   0  0
   -0.9513    6.4982    0.0000 C   0  0
   -1.3786    3.8595    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.6924   -4.0811    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1047   -0.0031    0.0000 C   0  0
    5.8570    1.2946    0.0000 O   0  0
    5.8532   -1.3039    0.0000 N   0  0
    7.3541   -1.3070    0.0000 C   0  0
    8.5617   -2.0570    0.0000 C   0  0
    8.5617   -0.5570    0.0000 C   0  0
    5.1006   -2.6023    0.0000 C   0  0
    5.1419   -4.0233    0.0000 C   0  0
    3.8452   -3.2693    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  3  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 11  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23  6  1  0
 23 18  2  0
  4 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 27  1  0
 26 30  1  0
 30 31  1  0
 31 32  1  0
 32 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13354

> <plate>
PLATE 005

> <well>
E4

> <supplier_cmpd_name>
BMS-911543

> <ctcr_id>
4090

> <supplier_cmpd_id>
T6790

> <smiles>
CCn1c(cc2c1nc(Nc3cc(C)n(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6

> <pd_targets>
{TYK2,JAK2,JAK1,JAK3,CYP3A4,CYP1A2,PDE4A,PDE4B,PDE4C,PDE4D}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450",Phosphodiesterase,"Protein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 1","Phosphodiesterase 4","TK protein kinase group","Cytochrome P450 family 3A","C
ytochrome P450 family 1A","Phosphodiesterase 4A","Tyrosine protein kinase JakA family","Cytochrome P450 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Receptor kinases","CYP3 family","CYP1 family","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Metabolism,"Cytokine Signaling in Immune system",Mitotic,"Metabolism of lipids","Biological oxidations","Interferon Signaling","Mitotic G1 phase and G1/S transition","Sig
naling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Interferon alpha/beta signaling","G1 Phase","Antiviral mechanism by IFN-
stimulated genes","Interleukin-2 family signaling","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Regulation of IFNA signaling","Cyclin D associated events in G1","
ISG15 antiviral mechanism","Interleukin-15 signaling","Biosynthesis of maresins",Xenobiotics,"Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{MS91154,BMS-911543,BMS911543,1271022-90-2,1271022902,"BMS 911543",UNII-7N03P021J8,UNII7N03P021J8,7N03P021J8,GTPL7954,SCHEMBL1512419,CHEMBL3545215,DTXSID00155403,HMS3747C07,AOB87390,BCP07258,EX-A1551,
EXA1551,BDBM50122318,MFCD22200575,NSC766821,NSC799366,s7144,AKOS027251175,"JAK2 INHIBIT",T6790,S7144}

> <pdid>
PD036139

> <targets>
{JAK}

> <classes>
{Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{50922691}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
 18  8  1  0
  2 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13355

> <plate>
PLATE 005

> <well>
E5

> <supplier_cmpd_name>
ME0328

> <ctcr_id>
4049

> <supplier_cmpd_id>
T6578

> <smiles>
CC(NC(=O)CCc1nc(O)c2ccccc2n1)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ME0328,S7438}

> <pdid>

> <targets>
{PARP}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{51147633}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8089   -4.6669    0.0000 N   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5795   -7.5047    0.0000 N   0  0
   -3.8747   -8.2614    0.0000 C   0  0
   -3.8672   -9.7614    0.0000 C   0  0
   -2.5644  -10.5048    0.0000 O   0  0
   -1.2691   -9.7483    0.0000 C   0  0
   -1.2767   -8.2483    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  2  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 12 26  2  0
 26  8  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13356

> <plate>
PLATE 005

> <well>
E6

> <supplier_cmpd_name>
CYC116

> <ctcr_id>
3852

> <supplier_cmpd_id>
T6458

> <smiles>
Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2

> <pd_targets>
{IKBKE,SYK,CDK9,PRKAA1,MAP3K20,IRAK4,TYK2,IRAK1,CSNK1A1,PRKACA,JAK2,FRK,DYRK1A,CHEK1,MAPK9,PAK4,JAK3,FER,AURKB,RPS6KB1,KDR,CCND1,FLT3,CDK2,CSF1R,STK3,CDK5,DAPK3,NEK4,PRKD3,WEE1,HIPK2,MET,FLT1,MAP4K5,T
BK1,PLK4,NTRK3,MAP4K4,CLK2,KIT,SGK2,TAOK1,BLK,MAP4K2,PKN2,MAPK12,CLK4,AURKA,LCK,GSK3B,CCNE1,GSK3A,CAMK2A,CDK4,BRSK1,PHKG2,CSNK1G1,STK17A,CSNK2A1,FGFR1,CHEK2,CDC7,MKNK2,FYN,SRC,RPS6KA3,MARK3,LYN,TNK2,C
SNK1D,MAPK8,PDGFRA,ROCK2,ROCK1,NEK2,ABL1,LTK,EGFR,ITK,EPHA2,CAMK2D,HIPK4,PDPK1,AURKC,AKT1,CDK1,CSNK1G2,RET,PRKD2,ROS1,INSR,CAMK2B,SLK,FGFR3,CCNT1,CAMK2G}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TKL protein kinase group","CK1
 protein kinase group","AGC protein kinase group","STE protein kinase group","Tyrosine protein kinase Syk family","CMGC protein kinase CDK family","CAMK protein kinase CAMK1 family","TKL protein kinas
e MLK family","TKL protein kinase IRAK family","Tyrosine protein kinase JakA family","CK1 protein kinase CK1 family","AGC protein kinase PKA family","Tyrosine protein kinase Src family","CMGC protein 
kinase DYRK family","CMGC protein kinase MAPK family","STE protein kinase STE20 family","Tyrosine protein kinase Fer family","Other protein kinase AUR family","AGC protein kinase RSK family","Tyrosine
 protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CAMK protein kinase DAPK family","Other protein kinase NEK family","CAMK protein kinase PKD family","Other protein kinase WEE fami
ly","Tyrosine protein kinase Met family","Other protein kinase IKK family","Other protein kinase PLK family","Tyrosine protein kinase Trk family","CMGC protein kinase CLK family","AGC protein kinase S
GK family","AGC protein kinase PKN family","CMGC protein kinase GSK family","CAMK protein kinase CAMK2 family","CAMK protein kinase PHk family","Other protein kinase CK2 family","Tyrosine protein kina
se FGFR family","CAMK protein kinase RAD53 family","Other protein kinase CDC7 family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Ack family","AGC protein kinase DMPK family","Tyrosi
ne protein kinase Abl family","Tyrosine protein kinase Alk family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Eph family","AGC protein kinase P
DK1 subfamily","AGC protein kinase AKT family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Sev family","Tyrosine protein kinase InsR family","CMGC protein kinase CDK9 subfamily","CAM
K protein kinase AMPK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase CHK1 subfamily","CMGC protein kinase JNK subfamily","STE protein kinase P
AKB subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase CDC2 subfamily","STE protein kinase MST subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase HIPK subfamily","STE
 protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase TAO subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase BRSK subfamily","CAMK protein kinase MNK s
ubfamily","Tyrosine protein kinase SrcA","AGC protein kinase RSK subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase ROCK subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","CK1: Casein kin
ase 1","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family
","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","Protein kinase A (PKA) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","
Mitogen-activated protein kinases (MAP kinases)","STE20 family","RSK family","Death-associated kinase (DAPK) family","Protein kinase D (PKD) family","CLK family","SGK family","Protein kinase N (PKN) f
amily","Glycogen synthase kinase (GSK) family","CAMK2 family","Phosphorylase kinase (PHK) family","MAPK-Activated Protein Kinase (MAPKAPK) family","DMPK family","PDK1 family","Akt (Protein kinase B","
PKB) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","CDK9 subfamily","AMPK subfamily","Mixed Lineage Kinase (MLK) family","Interleukin-1 receptor-associated kinase (IRAK) family","Dyrk1 
subfamily","CHK1 subfamily","JNK subfamily","PAKB subfamily","Aurora kinase (Aur) family","p70 subfamily","Receptor tyrosine kinases (RTKs)","CDK1 subfamily","MST subfamily","CDK5 subfamily","NIMA (ne
ver in mitosis gene a)- related kinase (NEK) family","WEE family","HIPK subfamily","KHS subfamily","Polo-like kinase (PLK) family","MSN subfamily","TAO subfamily","p38 subfamily","GSK subfamily","CDK4
 subfamily","BRSK subfamily","Casein kinase 2 (CK2) family","CDC7 family","MKN subfamily","RSK subfamily","MARK subfamily","Rho kinase","SLK subfamily","Syk family","MLK subfamily","Janus kinase (JakA
) family","Src family","Fer family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type X RTKs: HGF (hepatocyte growt
h factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Ack family","Abl family","Type XIX RTKs: Leukocyte tyrosine 
kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","Type XIII RTKs: Ephrin receptor family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","
Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Immune System",Disease,"Gene expression (Transcription)","Cell Cycle","Signal Transduction","DNA Repair","Developmental Biology","Programmed Cell Death",Metabolism,"Cellular responses to external st
imuli","Transport of small molecules","Neuronal System","Innate Immune System","Infectious disease","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Diseases of signal transduc
tion by growth factor receptors and second messengers",Mitotic,"Intracellular signaling by second messengers","DNA Double-Strand Break Repair","Nervous system development","Signaling by Receptor Tyros
ine Kinases","MTOR signalling","Signaling by Hippo",Apoptosis,"Metabolism of lipids","Cell Cycle Checkpoints","Cellular responses to stress","Ion channel transport","Signaling by Rho GTPases","Transmi
ssion across Chemical Synapses","Metabolism of carbohydrates","Signaling by GPCR","Adaptive Immune System","Toll-like Receptor Cascades","Leishmania infection","HIV Infection","Generic Transcription P
athway","Interferon Signaling","Signaling by WNT in cancer","Mitotic G2-G2/M phases","Mitotic G1 phase and G1/S transition","PIP3 activates AKT signaling","Homology Directed Repair","Axon guidance","S
ignaling by Interleukins","Signaling by SCF-KIT","M Phase","mTORC1-mediated signalling","Signaling by VEGF","Signaling by Insulin receptor","Caspase activation via extrinsic apoptotic signalling pathw
ay","Sphingolipid metabolism","G2/M Checkpoints","Signaling by NTRKs","Cellular Senescence","Signaling by KIT in disease","Stimuli-sensing channels","RHO GTPase Effectors","SARS-CoV Infections","Neuro
transmitter receptors and postsynaptic signal transmission","Glycogen metabolism","Signaling by FGFR in disease","Oncogenic MAPK signaling","Signaling by PDGFR in disease","Regulation of mitotic cell 
cycle","GPCR downstream signalling","TCR signaling","Toll Like Receptor 4 (TLR4) Cascade","Leishmania parasite growth and survival","HIV Life Cycle","Transcriptional Regulation by TP53","Toll Like Rec
eptor 2 (TLR2) Cascade","Interferon alpha/beta signaling","Toll Like Receptor 5 (TLR5) Cascade","Signaling by AMER1 mutants","G2/M Transition","G1 Phase","PTEN Regulation","G0 and Early G1","HDR throu
gh Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by ROBO receptors","Interleukin-2 family signaling","Mitotic Metaphase and Anaphase","VEGFA-VEGFR2 Pathway","Insulin rece
ptor signalling cascade","Transcriptional Regulation by VENTX","Caspase activation via Dependence Receptors in the absence of ligand","Sphingolipid de novo biosynthesis","G2/M DNA damage checkpoint","
Semaphorin interactions","VEGF ligand-receptor interactions","Signaling by NTRK3 (TRKC)","Oxidative Stress Induced Senescence","Drug resistance of KIT mutants","Transcriptional regulation by RUNX1","R
HO GTPases activate PKNs","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic events","Glycogen breakdown (glycogenolys
is)","Signaling by FGFR1 in disease","G1/S Transition","Signaling by RAS mutants","Drug resistance of PDGFR mutants","APC/C-mediated degradation of cell cycle proteins","Parasite infection","G alpha (
q) signalling events","Generation of second messenger molecules","EPH-Ephrin signaling","RET signaling","Negative regulation of the PI3K/AKT network","Signaling by FGFR3 in disease","MyD88-independent
 TLR4 cascade","Anti-inflammatory response favouring Leishmania parasite infection","Late Phase of HIV Life Cycle","Regulation of TP53 Activity","Toll Like Receptor TLR6:TLR2 Cascade","Regulation of I
FNA signaling","MyD88 cascade initiated on plasma membrane","Truncations of AMER1 destabilize the destruction complex","Centrosome maturation","Cyclin D associated events in G1","Regulation of PTEN st
ability and activity","HDR through Homologous Recombination (HRR)","Activation of RAC1","Interleukin-15 signaling","Mitotic Anaphase","VEGFR2 mediated cell proliferation","IRS-mediated signalling","Ch
k1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Sema4D in semaphorin signaling","VEGF binds to VEGFR leading to receptor dimerization","Activated NTRK3 signals through PI3K","Dasatinib-
resistant KIT mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","SARS-CoV-1 Genome Replic
ation and Transcription","Post NMDA receptor activation events","FGFR1 mutant receptor activation","Activation of the pre-replicative complex","Signaling downstream of RAS mutants","Imatinib-resistant
 PDGFR mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHA-mediated growth cone c
ollapse","Cyclin E associated events during G1/S transition",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signaling by FGFR3 point mutants in cancer","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3
A-mediated IL10 synthesis","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","MAP kinase activation","Loss
 of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand Exchange","Separation of Sister Chromatids","PI3K Cascade","Regulation of TP53 Exp
ression and Degradation","Sema4D mediated inhibition of cell attachment and migration","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapte
rs","Replication of the SARS-CoV-1 genome","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Signaling by activated point mutants of FGFR1","Nef and signal transducti
on","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Phosphorylation of
 proteins involved in G1/S transition by active Cyclin E:Cdk2 complexes","FGFR3 mutant receptor activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","HIV Transcription Elongation","activ
ated TAK1 mediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases",
"Regulation of TP53 Degradation","p38MAPK events","Nef Mediated CD4 Down-regulation","Ras activation upon Ca2+ influx through NMDA receptor","APC:Cdc20 mediated degradation of cell cycle proteins prio
r to satisfation of the cell cycle checkpoint","Signaling by activated point mutants of FGFR3","Tat-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of transcription factors
","CREB phosphorylation","APC-Cdc20 mediated degradation of Nek2A","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{AURKA,AURKB,KDR}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{693228-63-6,693228636,CYC-116,CYC116,CHEMBL482967,"CYC 116",4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine,4methyl5(2(4morpholinophenylamino)pyrimidin4yl)thiazol2amine,4-Methyl
-5-(2-((4-morpholinophenyl)amino)-pyrimidin-4-yl)thiazol-2-amine,4Methyl5(2((4morpholinophenyl)amino)pyrimidin4yl)thiazol2amine,4-methyl-5-(2-(4-morpholin-4-ylanilino)pyrimidin-4-yl),4methyl5(2(4morph
olin4ylanilino)pyrimidin4yl),T6458,S1171}

> <pdid>
PD011106

> <targets>
{"Aurora | VEGFR-PDGFR","Aurora Kinase",VEGFR}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{6420138}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 43 46  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   15.4421   -5.0414    0.0000 C   0  0
   13.9500   -5.1959    0.0000 N   0  0
   12.9481   -4.0796    0.0000 C   0  0
   11.5957   -4.6984    0.0000 C   0  0
   11.7312   -6.1795    0.0000 C   0  0
   13.1980   -6.4937    0.0000 N   0  0
   10.2960   -3.9481    0.0000 C   0  0
   10.2960   -2.4481    0.0000 C   0  0
    8.9970   -1.6981    0.0000 C   0  0
    7.6979   -2.4481    0.0000 C   0  0
    7.6979   -3.9481    0.0000 C   0  0
    8.9970   -4.6981    0.0000 C   0  0
    6.3982   -1.6977    0.0000 S   0  0
    5.0994   -2.4481    0.0000 O   0  0
    6.3984   -3.1977    0.0000 O   0  0
    6.3972   -0.1968    0.0000 N   0  0
    5.1831    0.6621    0.0000 C   0  0
    5.6458    2.0890    0.0000 C   0  0
    7.1458    2.0899    0.0000 C   0  0
    7.6102    0.6637    0.0000 C   0  0
    8.0282    3.3008    0.0000 C   0  0
    9.5206    3.1427    0.0000 C   0  0
   10.4045    4.3556    0.0000 C   0  0
    9.7960    5.7266    0.0000 O   0  0
   11.8970    4.1976    0.0000 N   0  0
   12.7809    5.4105    0.0000 C   0  0
   12.1700    6.7805    0.0000 C   0  0
   13.0510    7.9946    0.0000 C   0  0
   14.5429    7.8387    0.0000 C   0  0
   15.1538    6.4687    0.0000 C   0  0
   14.2728    5.2547    0.0000 C   0  0
   14.8838    3.8847    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17 13  1  0
 15 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 18  1  0
 21 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 27  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  2  3
 38 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 37  1  0
 42 43  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13357

> <plate>
PLATE 005

> <well>
E7

> <supplier_cmpd_name>
4SC-202 tosylate

> <ctcr_id>
12324

> <supplier_cmpd_id>
T4477

> <smiles>
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)/C=C/C(=O)NC4=CC=CC=C4N

> <pd_targets>
{HDAC3}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Disorders of Developmental Biology","Disorders of Nervous System Development","Pervasive developmental disorders","Loss of function of MECP2 in Rett syndrome","Loss of MECP2 binding ability 
to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{"SC202 TOSYLAT",4SC-202,4SC202,1186222-89-8,1186222898,"domatinostat tosylate","Domatinostat (tosylate)",UNII-9PW28FR8VD,UNII9PW28FR8VD,9PW28FR8VD,910462-43-0,910462430,"4SC-202 tosylate","4SC202 tos
ylate","4SC 202",SCHEMBL1613945,SCHEMBL1613947,EX-A761,EXA761,AOB87342,BCP25159,EX-A3012,EXA3012,ZB1528,HY-16012,HY16012,T4477}

> <pdid>
PD012476

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC5,HDAC9,HDAC10,HDAC11}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{44217246}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5986    0.0004    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8993    3.7504    0.0000 C   0  0
   -3.9002    5.2504    0.0000 C   0  0
   -2.6017    6.0012    0.0000 C   0  0
   -1.3022    5.2521    0.0000 C   0  0
   -1.3012    3.7521    0.0000 C   0  0
   -5.1989    6.0027    0.0000 C   0  0
   -6.4988    5.2541    0.0000 O   0  0
   -5.1977    7.5035    0.0000 N   0  0
   -6.4964    8.2557    0.0000 N   0  0
   -6.4952    9.7566    0.0000 C   0  0
   -7.7939   10.5072    0.0000 C   0  0
   -5.1954   10.5068    0.0000 C   0  0
   -3.8979    9.7540    0.0000 C   0  0
   -2.5972   10.5011    0.0000 C   0  0
   -1.2998    9.7483    0.0000 Cl  0  0
   -2.5939   12.0011    0.0000 C   0  0
   -3.8913   12.7540    0.0000 C   0  0
   -5.1920   12.0068    0.0000 C   0  0
   -6.4894   12.7597    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 13 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 29 23  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13358

> <plate>
PLATE 005

> <well>
E8

> <supplier_cmpd_name>
Seclidemstat

> <ctcr_id>
13482

> <supplier_cmpd_id>
T4527

> <smiles>
CN1CCN(CC1)S(=O)(=O)c2cc(ccc2)C(=O)N\N=C(\C)c3cc(Cl)ccc3O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"histone demethylase inhibitor"}

> <synonyms>
{1423715-37-0,1423715370,SeclidemstatSP-2577,SeclidemstatSP2577,SCHEMBL14697018,BCP29581,"SP-2577;SP 2577;SP2577","SP2577;SP 2577;SP2577",C1CN(C)CCN1S(=O)(=O)C1=CC=CC(C(=O)NN=C(/C)C=2C(=CC=C(Cl)C=2)O)
=C1,T4527,Seclidemstat}

> <pdid>
PD099031

> <targets>
{LSD1,Histone Demethylase}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{136377269}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    5.0517   -2.4936    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    4.1718    0.3758    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -4.1081    0.5621    0.0000 O   0  0
   -5.5918    0.3357    0.0000 C   0  0
   -6.5304    1.5068    0.0000 C   0  0  1  0  0  0
   -8.0136    1.2826    0.0000 C   0  0
   -8.9493    2.4550    0.0000 C   0  0
   -8.4019    3.8515    0.0000 C   0  0
   -6.9188    4.0757    0.0000 N   0  0
   -5.9830    2.9034    0.0000 C   0  0
   -6.3714    5.4723    0.0000 C   0  0
   -3.3305   -4.5751    0.0000 C   0  0
   -2.3972   -5.7494    0.0000 C   0  0
   -2.9474   -7.1448    0.0000 C   0  0
   -4.4310   -7.3661    0.0000 C   0  0
   -5.3644   -6.1918    0.0000 C   0  0
   -4.8141   -4.7964    0.0000 C   0  0
   -4.9844   -8.7611    0.0000 O   0  0
   -6.4683   -8.9802    0.0000 C   0  0
   -2.0111   -8.3178    0.0000 O   0  0
   -0.5278   -8.0945    0.0000 C   0  0
    7.5525   -1.7537    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15  9  1  0
 15 16  1  0
 16 17  1  0
 18 17  1  1
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 22 24  1  0
 13 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 25  1  0
 28 31  1  0
 31 32  1  0
 27 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13359

> <plate>
PLATE 005

> <well>
E9

> <supplier_cmpd_name>
I-CBP112 hydrochloride

> <ctcr_id>
12507

> <supplier_cmpd_id>
T4247

> <smiles>
CCC(=O)N1CCOC2=C(C1)C=C(C=C2OC[C@H]3CCCN(C3)C)C4=CC(=C(C=C4)OC)OC.Cl

> <pd_targets>
{BRD4,EP300,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al Regulation by TP53","Regulation of TP53 Activity","TP53 Regulates Transcription of Cell Death Genes","Regulation of TP53 Activity through Acetylation","TP53 Regulates Transcription of Genes Involve
d in Cytochrome C Release","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
{CREBBP,EP300}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{2147701333,I-CBP112HydrochlorideSalt,ICBP112HydrochlorideSalt,T4247,"I-CBP112 hydrochloride"}

> <pdid>
PD000009

> <targets>
{CBP/p300,"Leukemia cell",CBP/p300,"Prostate cancer cell"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{132285145}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4988    0.0000 O   0  0
   -3.9055   -5.2465    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -2.6029    5.9967    0.0000 Cl  0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
  4 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 15  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13360

> <plate>
PLATE 005

> <well>
E10

> <supplier_cmpd_name>
Vadadustat

> <ctcr_id>
12678

> <supplier_cmpd_id>
T4651

> <smiles>
Oc1cc(cnc1C(=O)NCC(=O)O)c2cccc(Cl)c2

> <pd_targets>
{EGLN1,HIF1AN,EGLN3,OGFOD1,VEGFA,A085R,EGLN2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)","Cellular responses to stress","RNA Polymerase II Transcription","Cellular response to hypoxia","Generic Transcription Pathw
ay","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","TFAP2 (AP-2) family regulates transcrip
tion of growth factors and their receptors"}

> <broad_targets>
{}

> <broad_moa>
{"hypoxia inducible factor prolyl hydroxylase inhibitor"}

> <synonyms>
{Vadadustat,1000025-07-9,1000025079,AKB-6548,AKB6548,PG-1016548,PG1016548,UNII-I60W9520VV,UNIII60W9520VV,N-(5-(3-Chlorophenyl)-3-hydroxypyridine-2-carbonyl)glycine,N(5(3Chlorophenyl)3hydroxypyridine2c
arbonyl)glycine,B506,B-506,(5-(3-chlorophenyl)-3-hydroxypicolinoyl)glycine,(5(3chlorophenyl)3hydroxypicolinoyl)glycine,I60W9520VV,2-((5-(3-chlorophenyl)-3-hydroxypyridine-2-c,2((5(3chlorophenyl)3hydro
xypyridine2c,T4651}

> <pdid>
PD058840

> <targets>
{HIF-PH,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{23634441}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.7996    1.4882    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 C   0  0
    1.2895    8.2559    0.0000 C   0  0
    1.2847    9.7558    0.0000 C   0  0
   -0.0167   10.5017    0.0000 C   0  0
   -1.3134    9.7476    0.0000 C   0  0
   -1.3086    8.2476    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  2  0
 14  3  1  0
  5 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13361

> <plate>
PLATE 005

> <well>
E11

> <supplier_cmpd_name>
HDAC8-IN-1

> <ctcr_id>
12334

> <supplier_cmpd_id>
T7082

> <smiles>
COc1cc(c(/C=C/C(=O)NO)cc1)c2ccc(cc2)c3ccccc3

> <pd_targets>
{HDAC8,HDAC3,HDAC1}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Disorders of Developmental Biology","M Phase","Disorders of Nervous System Development","Mitotic Metaphase and Anaphase","Pervasive developmental disorders","Mitotic Ana
phase","Loss of function of MECP2 in Rett syndrome","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DAC8IN,HDAC8-IN-1,HDAC8IN1,1417997-93-3,1417997933,CHEMBL4078458,"(E)-N-hydroxy-3-(5-methoxy-(1,1':4',1''-terphenyl)-2-yl)acrylamide","(E)Nhydroxy3(5methoxy(1,1':4',1''terphenyl)2yl)acrylamide",VC-79
33,VC7933,"HDAC8 inhibitor 22d",SCHEMBL16516543,ABM-7933,ABM7933,BCP26192,EX-A1820,EXA1820,BDBM50246866,A17091,"MDK-7933; MDK 7933; MDK7933","MDK7933; MDK 7933; MDK7933",T7082}

> <pdid>
PD088288

> <targets>
{HDAC8}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{70676597}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 S   0  0
    1.2993   -3.7504    0.0000 O   0  0
    0.0007   -4.5008    0.0000 O   0  0
   -1.2993   -3.7521    0.0000 N   0  0
   -1.2993   -5.2529    0.0000 N   0  0
   -2.5985   -6.0041    0.0000 C   0  0
   -3.8978   -5.2545    0.0000 O   0  0
   -2.5985   -7.5050    0.0000 C   0  0
   -3.8960   -8.2577    0.0000 C   0  0
   -3.8930   -9.7577    0.0000 C   0  0
   -2.5924  -10.5050    0.0000 C   0  0
   -1.2949   -9.7524    0.0000 C   0  0
    0.0057  -10.4997    0.0000 F   0  0
   -1.2979   -8.2524    0.0000 C   0  0
   -5.1911  -10.5107    0.0000 C   0  0
   -6.4930   -9.7655    0.0000 C   0  0
   -7.7893  -10.5202    0.0000 C   0  0
   -7.7838  -12.0202    0.0000 C   0  0
   -6.4821  -12.7655    0.0000 C   0  0
   -5.1858  -12.0108    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 15  1  0
 17 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13362

> <plate>
PLATE 005

> <well>
F2

> <supplier_cmpd_name>
WM-1119

> <ctcr_id>
13495

> <supplier_cmpd_id>
T4679

> <smiles>
Fc1ccccc1S(=O)(=O)NNC(=O)c2cc(cc(F)c2)c3ccccn3

> <pd_targets>
{KAT6B,KAT6A}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.3.1.48 Histone acetyltransferases (HATs)"}

> <pathway_reactome>
{"Chromatin organization","Gene expression (Transcription)","Chromatin modifying enzymes","RNA Polymerase II Transcription","HATs acetylate histones","Generic Transcription Pathway","Transcriptional R
egulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{M111,WM-1119,WM1119,2055397-28-7,2055397287,2-Fluoro-N'-(3-fluoro-5-(pyridin-2-yl)benzoyl)benzenesulfonohydrazide,2FluoroN'(3fluoro5(pyridin2yl)benzoyl)benzenesulfonohydrazide,CHEMBL4456585,3-fluoro-
N'-(2-fluorobenzenesulfonyl)-5-(pyridin-2-yl)benzohydrazide,3fluoroN'(2fluorobenzenesulfonyl)5(pyridin2yl)benzohydrazide,3-fluoro-N'-((2-fluorophenyl)sulfonyl)-5-(pyridin-2-yl)benzohydrazide,3fluoroN'
((2fluorophenyl)sulfonyl)5(pyridin2yl)benzohydrazide,SCH,T4679}

> <pdid>
PD087787

> <targets>
{KAT6A}

> <classes>
{Epigenetics}

> <pubchem_cids>
{133080719}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 12 13  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13363

> <plate>
PLATE 005

> <well>
F3

> <supplier_cmpd_name>
1,5-Isoquinolinediol

> <ctcr_id>
12916

> <supplier_cmpd_id>
T7042

> <smiles>
Oc1cccc2c1cc[nH]c2=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"1,5isoquinolinediol",5154-02-9,5154029,"isoquinoline-1,5-diol","isoquinoline1,5diol","1,5-Dihydroxyisoquinoline","1,5Dihydroxyisoquinoline",5-HYDROXYISOQUINOLINE-1(2H)-ONE,5HYDROXYISOQUINOLINE1(2H)O
NE,5-Hydroxyisocarbostyril,5Hydroxyisocarbostyril,5-Hydroxy-1(2H)-isoquinolinone,5Hydroxy1(2H)isoquinolinone,5-HYDROXYISOQUINOLIN-1(2H)-ONE,5HYDROXYISOQUINOLIN1(2H)ONE,5-hydroxy-2H-isoquinolin-1-one,5
hydroxy2Hisoquinolin1one,CHEMBL338314,CHEBI:,T7042,"1,5-Isoquinolinediol"}

> <pdid>
PD015263

> <targets>
{PARP1}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{1340}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
   11.5837   -5.2594    0.0000 Na  0  3
    7.7790  -12.0185    0.0000 O   0  5
    7.7821  -10.5185    0.0000 C   0  0
    9.0829   -9.7716    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0  1  0  0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0988   -9.6968    0.0000 C   0  0
    5.8467  -10.9971    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
  5 20  1  0
 20 21  1  0
 21  5  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13364

> <plate>
PLATE 005

> <well>
F4

> <supplier_cmpd_name>
(R)-Etomoxir sodium salt

> <ctcr_id>
8245

> <supplier_cmpd_id>
T4535

> <smiles>
[Na+].[O-]C(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{2893441,"28934 41",828934-41-4,828934414,"828934 41 4","(R)-(+)-Etomoxir sodium salt","(R)(+)Etomoxir sodium salt","(R) (+) Etomoxir sodium salt","Etomoxir sodium salt","Etomoxir sodium","ANTI-EAPII 
(TTRAP)","ANTIEAPII (TTRAP)","ANTI EAPII (TT",T4535,11969,"(R)-Etomoxir sodium salt",(+)-Etomoxir(sodiumsalt)}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{57345784}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    7.7988   -1.4819    0.0000 Br  0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1852    3.0091    0.0000 Br  0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5181    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1973   -2.9959    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 21 22  2  0
 22 15  1  0
 22 11  1  0
 20 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13365

> <plate>
PLATE 005

> <well>
F5

> <supplier_cmpd_name>
WHI-P97

> <ctcr_id>
12328

> <supplier_cmpd_id>
T4657

> <smiles>
Brc1cc(cc(Br)c1O)Nc3ncnc2cc(OC)c(cc23)OC

> <pd_targets>
{MKNK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase MAPKAPK family","CAMK protein kinase MNK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","MAPK-Activated Protein Kinase (MAPKAPK) family","MKN subfamily"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR","Signaling by FGFR4","Negative regulation of FGFR4 signaling","Spry regulation of FGF signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HIP9,WHI-P97,WHIP97,211555-05-4,211555054,"2,6-dibromo-4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol","2,6dibromo4((6,7dimethoxyquinazolin4yl)amino)phenol",CHEMBL421942,"2,6-Dibromo-4-((6,7-dimethoxy
-4-quinazolinyl)amino)phenol","2,6Dibromo4((6,7dimethoxy4quinazolinyl)amino)phenol","2,6-Dibromo-4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol","2,6Dibromo4((6,7dimethoxyquinazolin4yl)amino)phenol",Ph
enol,2,6-dibromo-4-((6,6dibromo4((6,7-dimet,7dimet,T4657}

> <pdid>
PD013031

> <targets>
{JAK3}

> <classes>
{"Angiogenesis/Chromatin/Epigenetic/Chromatin/Epigenetic/Stem Cells"}

> <pubchem_cids>
{3796}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    5.1900   -6.0049    0.0000 C   0  0
    3.8919   -5.2533    0.0000 C   0  0
    3.8903   -6.7533    0.0000 C   0  0
    2.5922   -6.0021    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5496   -4.4224    0.0000 C   0  0
   -4.0496   -4.4250    0.0000 O   0  0
   -1.7973   -5.7210    0.0000 N   0  0
   -2.5450   -7.0224    0.0000 C   0  0
   -1.7932   -8.3203    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    3.9046    0.7483    0.0000 O   0  0
    5.2066    1.4948    0.0000 C   0  0
    5.2143    2.9948    0.0000 C   0  0
    3.9191    3.7514    0.0000 C   0  0
    6.5172    3.7382    0.0000 C   0  0
    7.8124    2.9816    0.0000 C   0  0
    9.1152    3.7250    0.0000 F   0  0
    7.8047    1.4816    0.0000 C   0  0
    6.5019    0.7382    0.0000 C   0  0
    6.4943   -0.7618    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18  8  1  0
 18 14  2  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
  7 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 26  1  0
 33 34  1  0
 24 35  1  0
 35 36  2  0
 36  5  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13366

> <plate>
PLATE 005

> <well>
F6

> <supplier_cmpd_name>
ABBV-744

> <ctcr_id>
12504

> <supplier_cmpd_id>
T4697

> <smiles>
CC(C)(O)c4cc(C1=CN(C)C(=O)c2nc(cc12)C(=O)NCC)c(Oc3c(C)cc(F)cc3C)cc4

> <pd_targets>
{BRD2,BRDT,BRD3,BRD4}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","Transcriptional regulation by RUNX3","Potential
 therapeutics for SARS","RUNX3 regulates p14-ARF"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BBV74,SCHEMBL19463409,GTPL10730,ABBV-744,ABBV744,2138861-99-9,2138861999,UNII-9MX546E2SF,UNII9MX546E2SF,9MX546E2SF,"ABBV 744",HWV,CHEMBL4297454,"ABBV 744; ABBV744",BDBM439497,AMY16848,BCP29855,EX-A27
13,EXA2713,"US10633379, Example 35","US10633379, Example 82",NSC812415,s8723,ACN-054460,ACN054460,T4697}

> <pdid>
PD098295

> <targets>
{"BET bromodomain"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{132010322}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 Br  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13367

> <plate>
PLATE 005

> <well>
F7

> <supplier_cmpd_name>
PTP Inhibitor I

> <ctcr_id>
6336

> <supplier_cmpd_id>
T7084

> <smiles>
Oc1ccc(cc1)C(=O)CBr

> <pd_targets>
{PTPN1}

> <pathway_gtopdb>
{Enzyme,Phosphatase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{Enzymes,Phosphatases,"Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by MECP2","MECP2 regulates neuronal receptors and channels"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{TP,2-BROMO-4'-HYDROXYACETOPHENONE,2BROMO4'HYDROXYACETOPHENONE,2491-38-5,2491385,2-bromo-1-(4-hydroxyphenyl)ethanone,2bromo1(4hydroxyphenyl)ethanone,"4-Hydroxyphenacyl bromide","4Hydroxyphenacyl bromi
de","Ethanone, 2-bromo-1-(4-hydroxyphenyl)-","Ethanone, 2bromo1(4hydroxyphenyl)",2-Bromo-1-(4-hydroxyphenyl)ethan-1-one,2Bromo1(4hydroxyphenyl)ethan1one,"Busan 90",UNII-6H0QU4I6BA,UNII6H0QU4I6BA,alpha
-Bromo-4-hydroxyacetophenone,alphaBromo4hydroxyacetophenone,6H0,T7084,SY-PTP-1,"PTP Inhibitor I",PTP-1}

> <pdid>
PD044329

> <targets>
{PTP,SHP-2,PTP1B}

> <classes>
{}

> <pubchem_cids>
{4964}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 37 42  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 C   0  0
   -2.5765    7.5048    0.0000 O   0  0
   -1.2731    8.2489    0.0000 C   0  0
    0.0208    7.4899    0.0000 N   0  0
    1.3250    8.2309    0.0000 C   0  0
    1.3354    9.7309    0.0000 C   0  0
    0.0416   10.4898    0.0000 C   0  0
   -1.2626    9.7488    0.0000 C   0  0
   -2.5571   10.5082    0.0000 C   0  0
   -3.8625    9.7693    0.0000 C   0  0
   -5.1552   10.5304    0.0000 C   0  0
   -5.1424   12.0303    0.0000 N   0  0
   -3.8370   12.7692    0.0000 C   0  0
   -3.8243   14.2692    0.0000 N   0  0
   -2.5444   12.0082    0.0000 N   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 23  1  0
 15 30  1  0
 30 31  2  0
 31 12  1  0
 10 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37  7  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13368

> <plate>
PLATE 005

> <well>
F8

> <supplier_cmpd_name>
AMG-900

> <ctcr_id>
3938

> <supplier_cmpd_id>
T6380

> <smiles>
Cc1csc(c1)c2nnc(Nc3ccc(Oc4ncccc4c5ccnc(N)n5)cc3)c6ccccc26

> <pd_targets>
{AURKC,AURKB,AURKA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53
","Mitotic Anaphase","Regulation of TP53 Activity","Separation of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
{AURKA,AURKB,AURKC}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{AMG-900,AMG900,"AMG 900",945595-80-2,945595802,UNII-9R2G075611,UNII9R2G075611,9R2G075611,ZINC43208325,cc-2,cc2,MLS006011192,SCHEMBL503564,C28H21N7OS,GTPL8060,CHEMBL2140408,AMG900/AMG-900,AMG900/AMG90
0,DTXSID90241526,HMS3656H17,BCP02552,EX-A1793,EXA1793,ABP000946,BDBM50466803,NSC761069,NSC799331,T6380,S2719}

> <pdid>
PD003228

> <targets>
{"Aurora Kinase"}

> <classes>
{Cell Cycle,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{24856041}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 F   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8919   -5.2525    0.0000 F   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4946   -3.7543    0.0000 C   0  0
    7.7945   -3.0041    0.0000 N   0  0
    9.0950   -3.7516    0.0000 C   0  0
   10.3927   -2.9992    0.0000 C   0  0
   10.3899   -1.4992    0.0000 O   0  0
    9.0894   -0.7517    0.0000 C   0  0
    7.7918   -1.5041    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 C   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 C   0  0
    0.3387   -8.7487    0.0000 C   0  0
   -0.1635  -10.1569    0.0000 C   0  0
    0.8088  -11.2991    0.0000 C   0  0
    2.2841  -11.0281    0.0000 N   0  0
    2.7871   -9.6150    0.0000 C   0  0
    1.8148   -8.4728    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  4 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 26  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13369

> <plate>
PLATE 005

> <well>
F9

> <supplier_cmpd_name>
NVP-BSK805 2HCl (1092499-93-8(free base))

> <ctcr_id>
8280

> <supplier_cmpd_id>
T6294

> <smiles>
Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2,ABL1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase Abl family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family","Abl family"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Leis
hmania infection","Interleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Parasite infection","Interleukin-15 signaling","ISG15 ant
iviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{VPBSK80,NVP-BSK805,NVPBSK805,1092499-93-8,1092499938,CHEMBL1092926,"BSK 805",DQX,"NVP-BSK 805 HCl","NVPBSK 805 HCl",C27H30Cl2F2N6O,"NVP-BSK 805","NVPBSK 805",SCHEMBL2800994,EX-A286,EXA286,BCP29570,BD
BM50315231,MFCD22419018,ZINC49070412,CS-1629,CS1629,NCGC00263202-01,NCGC0026320201,NCGC00263202-08,NCGC0026320208,AC-28460,AC28460,AK473881,HY-14722,HY14722,X7514,Q,T5049,T6294,HY-14722,"NVP-BSK805 2H
Cl (1092499-93-8(free base))",NVP-BSK805,"NVP BSK 805"}

> <pdid>
PD003577

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{46398810}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 34 39  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5937   -6.0074    0.0000 C   0  0
    1.2413   -5.3885    0.0000 C   0  0
    0.2394   -6.5048    0.0000 N   0  0
   -1.2255   -6.8179    0.0000 C   0  0
   -2.3421   -5.8189    0.0000 C   0  0
   -3.7683   -6.2863    0.0000 N   0  0
   -4.8877   -5.2877    0.0000 C   0  0
   -6.3121   -5.7577    0.0000 C   0  0
   -6.6173   -7.2264    0.0000 N   0  0
   -5.4980   -8.2250    0.0000 C   0  0
   -4.0736   -7.7550    0.0000 C   0  0
   -1.3800   -8.3099    0.0000 C   0  0
   -0.0087   -8.9179    0.0000 S   0  0
    0.9914   -7.8027    0.0000 C   0  0
    2.4581   -7.4885    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 13 21  2  0
 21 22  1  0
 22 23  1  0
 23 12  1  0
 23 24  2  0
 24 10  1  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 28  1  0
 33 34  2  0
 34 25  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13370

> <plate>
PLATE 005

> <well>
F10

> <supplier_cmpd_name>
SRT 1720 dihydrochloride[925434-55-5(free base)]

> <ctcr_id>
8271

> <supplier_cmpd_id>
T5124

> <smiles>
O=C(Nc1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccccc6n5

> <pd_targets>
{SIRT2,SIRT1,SIRT3,SLC6A2,ADRA2A,CHRM2,CHRM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Transporter,"Membrane receptor",Eraser,"Electrochemical transporter","Family A G protein-coupled receptor","Histone deacetylase","SLC superfamily of solute carriers","Small mol
ecule receptor (family A GPCR)","HDAC class III","SLC06 neurotransmitter transporter family","Monoamine receptor","Adrenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","SLC superfamily of solute carriers","G protein-coupled receptors","3.5.1.- Histone deacetylases (HDACs)","SLC6 neurotransmitter transport
er family",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,"Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Disorders of transmembrane transporters","Signaling by GPCR","M Phase","Generic
 Transcription Pathway","SLC transporter disorders","GPCR ligand binding","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A
/1 (Rhodopsin-like receptors)","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Amine l
igand-binding receptors","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT activator"}

> <synonyms>
{2543455,925434-55-5,925434555,"SRT 1720",SRT-1720,SRT1720,"SRT-1720 free base","SRT1720 free base",UNII-DX3FHY76FZ,UNIIDX3FHY76FZ,DX3FHY76FZ,CHEMBL257991,"925434-55-5 (free base)","925434555 (free ba
se)","Tafluprost enone",C25H24ClN7OS,SCHEMBL963877,GTPL7703,DTXSID00636045,EX-A033,EXA033,ACT04836,AMY36693,AOB87773,BCP13176,56,10011020,"SRT 1720 dihydrochloride[925434-55-5(free base)]"}

> <pdid>
PD050847

> <targets>
{Autophagy,Sirtuin}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{24180125}

$$$$
TargetMol_L1200_Epignenetics compound library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
   12.8969   -1.5032    0.0000 Cl  0  0
    9.0966    0.7447    0.0000 O   0  0
    7.7991    1.4973    0.0000 C   0  0
    6.4980    0.7492    0.0000 C   0  0  2  0  0  0
    5.1983    1.4996    0.0000 N   0  0
    3.8981    0.7500    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    5.1967   -0.0006    0.0000 O   0  0
    2.5983    1.5004    0.0000 C   0  0
    2.5983    3.0004    0.0000 C   0  0
    1.2993    3.7504    0.0000 C   0  0
    1.2993    5.2504    0.0000 C   0  0
    0.0002    6.0004    0.0000 C   0  0
   -1.2988    5.2504    0.0000 N   0  0
   -1.2988    3.7504    0.0000 C   0  0
    0.0002    3.0004    0.0000 C   0  0
    0.0002    1.5004    0.0000 C   0  0
   -1.2988    0.7504    0.0000 F   0  0
    1.2993    0.7504    0.0000 C   0  0
    6.4990   -0.7516    0.0000 C   0  0
    7.7988   -1.5020    0.0000 C   0  0
    9.0994   -0.7548    0.0000 C   0  0
   10.3969   -1.5074    0.0000 C   0  0
   10.3938   -3.0074    0.0000 C   0  0
    9.0933   -3.7547    0.0000 C   0  0
    7.7958   -3.0021    0.0000 C   0  0
    9.0902   -5.2556    0.0000 C   0  0
   10.3873   -6.0090    0.0000 F   0  0
    7.7894   -6.0025    0.0000 F   0  0
    9.0865   -6.7556    0.0000 F   0  0
    7.8027    2.9982    0.0000 N   0  0
    9.0164    3.8576    0.0000 C   0  0
    8.5534    5.2843    0.0000 C   0  0
    7.0534    5.2848    0.0000 C   0  0
    6.5894    3.8584    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19  9  1  0
  4 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
  3 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 31  1  0
M  END
> <name>
TargetMol_L1200_Epignenetics compound library

> <id>
13371

> <plate>
PLATE 005

> <well>
F11

> <supplier_cmpd_name>
(R)-PFI-2 hydrochloride

> <ctcr_id>
12532

> <supplier_cmpd_id>
T4583

> <smiles>
Cl.O=C([C@H](NS(=O)(=O)c2cc1CCNCc1c(F)c2)Cc3cccc(c3)C(F)(F)F)N4CCCC4

> <pd_targets>
{SETD7}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","SET domain"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Chromatin organization","Chromatin modifying enzymes","PKMTs methylate histone lysines"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"R)PFI2 HYDROCHLORID","PFI-2 hydrochloride","PFI2 hydrochloride","PFI-2 (hydrochloride)","PFI2 (hydrochloride)",1627607-87-7,1627607877,"PFI-2 HCl","PFI2 HCl","(R)-PFI 2 hydrochloride","(R)PFI 2 hydr
ochloride","1627607-87-7  (HCl)","1627607877  (HCl)","(R)PFI-2 HCl","(R)PFI2 HCl","(S)-PFI-2 HCl","(S)PFI2 HCl","PFI-2 HCl (R)","PFI2 HCl (R)",C23H25F4N3O3S.ClH,1627607-88-8,1627607888,EX-A1604,EXA160
4,2944AH,HY-18627A,HY18627A,AKOS02,T4583,"(R)-PFI-2 hydrochloride"}

> <pdid>
PD021559

> <targets>
{SETD7}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{78243738}

$$$$
